SCHEMBL9582641

SCHEMBL9582641

O=CNC(Cc1ccccc1)(c1ccc(F)cc1)[N+](=O)[O-]

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KIF11 P52732 4/20 0.38
▸ RORC P51449 1/20 0.35
▸ ALDH1A1 P00352 5/20 0.34
▸ KMT2A Q03164 3/20 0.34
▸ KDM4E B2RXH2 2/20 0.34
▸ NPC1 O15118 2/20 0.34
▸ RAB9A P51151 2/20 0.34
▸ TAAR1 Q96RJ0 1/20 0.34
▸ LMNA P02545 2/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ GFER P55789 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ ADH1B P00325 1/20 0.33
▸ ADH1C P00326 1/20 0.33
▸ ADH1A P07327 1/20 0.33
▸ ADH7 P40394 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9582662 0.90 CYP1A2 (0.37) KIF11ALDH1A1KMT2ATAAR1LMNA
SCHEMBL9583067 0.86 MEN1 (0.39) KIF11ALDH1A1KMT2ANPC1RAB9A
SCHEMBL10573480 0.83 LMNA (0.40) KIF11RORCALDH1A1KMT2ANPC1
SCHEMBL9584034 0.83 MMP1 (0.40) ALDH1A1KMT2ANPC1RAB9ALMNA
Hydrochloric Acid SCHEMBL9583236 0.82 LMNA (0.39) KIF11RORCALDH1A1KMT2ANPC1
SCHEMBL9583390 0.78 SMN1; SMN2 (0.39) ALDH1A1KMT2AKDM4ENPC1RAB9A
SCHEMBL9583227 0.73 KIF11 (0.46) KIF11RORCNPC1RAB9ATAAR1
SCHEMBL10575776 0.72 CYP2D6 (0.46) KIF11ALDH1A1KMT2AKDM4ETAAR1
Hydrochloric Acid SCHEMBL9583152 0.71 KIF11 (0.44) KIF11RORCNPC1RAB9ATAAR1
Hydrochloric Acid SCHEMBL9583080 0.71 CYP2D6 (0.44) KIF11ALDH1A1KMT2AKDM4ETAAR1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4933493-A Intermediates for the preparation of 4-phenyl-1,3-benzodiazepines HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1990-06-12 — — US claimed
US-5260339-A 4-phenyl-1,3-benzodiazepines and 2-amino-α-phenylphenethylamines for treating convulsions and protecting neurons HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1993-11-09 — — US disclosed
US-5185465-A Carboxamides of 2-amino-alpha-phenlphenethylamines HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1993-02-09 — — US disclosed
US-4968721-A 2-amino-alpha-phenylphenethylamines and method of use HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1990-11-06 — — US disclosed
US-4933493-A Intermediates for the preparation of 4-phenyl-1,3-benzodiazepines HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1990-06-12 — — US disclosed
US-4855502-A CHEMICAL INTERMEDIATES FOR 1,3-BENZODIAZEPINES HOECHST-ROUSSEL PHARMACEUTICALS, INC. (US) 1989-08-08 — — US disclosed
US-4822914-A 2-amino-N-methyl-α-phenyl-phenethylamines HOECHST-ROUSSEL PHARMACEUTICALS, INC. (US) 1989-04-18 — — US disclosed
US-RE32444-E Process for preparing 4-phenyl-1,3-benzodiazepines HOECHST-ROUSSEL PHARMACEUTICALS, INC. (US) 1987-06-23 — — US disclosed
EP-0057870-B1 N-OPTIONELLY SUBSTITUTED-2-AMINO-ALPHA-PHENYLPHENETHYLAMINES AND A METHOD FOR THEIR PREPARATION HOECHST AKTIENGESELLSCHAFT (DE) 1985-07-31 — — EP disclosed
US-4504680-A 4-Phenyl-1,3-benzodiazepines HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1985-03-12 — — US disclosed
US-4469889-A 2-(2-Nitrophenyl)-1-phenylethanone oxime acetates HOECHST-ROUSSEL PHARMACEUTICALS, INCORPORATED (US) 1984-09-04 — — US disclosed
US-4462933-A Process for preparing 4-phenyl-1,3-benzodiazepines HOECHST-ROUSSEL PHARMACEUTICALS, INCORPORATED (US) 1984-07-31 — — US disclosed
US-4459230-A Process for preparing 4-phenyl-1,3-benzodiazepines HOECHST-ROUSSEL PHARMACEUTICALS, INCORPORATED (US) 1984-07-10 — — US disclosed
US-4459231-A Process for preparing 4-phenyl-1,3-benzodiazepines HOECHST-ROUSSEL PHARMACEUTICALS, INCORPORATED (US) 1984-07-10 — — US disclosed
US-4409145-A OXIMINATION, ESTERIFICATION, REDUCTION HOECHST-ROUSSEL PHARMACEUTICALS, INC. (US) 1983-10-11 — — US disclosed
EP-0009800-B1 4-PHENYL-1,3-BENZODIAZEPINES, METHOD FOR THEIR PREPARATION, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THE COMPOUNDS FOR USE AS MEDICAMENTS HOECHST AKTIENGESELLSCHAFT (DE) 1983-02-23 — — EP disclosed
EP-0057870-A1 N-optionelly substituted-2-amino-alpha-phenylphenethylamines and a method for their preparation HOECHST AKTIENGESELLSCHAFT (DE) 1982-08-18 — — EP disclosed
US-4309424-A 4-Phenyl-1,3-benzodiazepines HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1982-01-05 — — US disclosed
EP-0009800-A2 4-Phenyl-1,3-benzodiazepines, method for their preparation, pharmaceutical compositions containing them, and the compounds for use as medicaments HOECHST AKTIENGESELLSCHAFT (DE) 1980-04-16 — — EP disclosed
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