SCHEMBL9582877

SCHEMBL9582877

COc1ccc(C(N)(Cc2ccccc2)[N+](=O)[O-])cc1OC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KIF11 P52732 1/20 0.41
▸ MAPT P10636 3/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ LMNA P02545 2/20 0.39
▸ ACHE P22303 3/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ BCHE P06276 2/20 0.39
▸ GAA P10253 2/20 0.39
▸ L3MBTL1 Q9Y468 2/20 0.39
▸ HTT P42858 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ CRHBP P24387 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ CRHR2 Q13324 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ CTSD P07339 1/20 0.38

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
Hydrochloric Acid SCHEMBL9582874 0.99 KIF11 (0.40) KIF11MAPTSMN1; SMN2LMNAACHE
SCHEMBL11305188 0.82 LTA4H (0.44) KIF11MAPTSMN1; SMN2LMNAACHE
Hydrochloric Acid SCHEMBL9581707 0.81 LTA4H (0.42) KIF11MAPTSMN1; SMN2LMNAACHE
SCHEMBL9583057 0.80 MAPT (0.40) MAPTSMN1; SMN2LMNAALDH1A1GAA
Hydrochloric Acid SCHEMBL9582798 0.79 MAPT (0.40) MAPTSMN1; SMN2LMNAALDH1A1GAA
SCHEMBL9583022 0.78 SMN1; SMN2 (0.44) KIF11SMN1; SMN2LMNAALDH1A1MAPK1
SCHEMBL8976443 0.77 SLC6A2 (0.46) KIF11MAPTSMN1; SMN2LMNAHTT
SCHEMBL9583489 0.77 KIF11 (0.46) KIF11MAPTSMN1; SMN2ACHEBCHE
SCHEMBL9583390 0.77 SMN1; SMN2 (0.39) MAPTSMN1; SMN2LMNAALDH1A1GAA
Hydrochloric Acid SCHEMBL9582760 0.77 SMN1; SMN2 (0.43) KIF11SMN1; SMN2MAPK1CYP1A2CYP3A4

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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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