SCHEMBL9583109

SCHEMBL9583109

COc1ccc(C(Cc2ccccc2[N+](=O)[O-])=NOC(C)=O)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.60
MAPT P10636 5/20 0.54
KMT2A Q03164 5/20 0.54
MEN1 O00255 4/20 0.54
PTPN1 P18031 1/20 0.53
MAOB P27338 1/20 0.51
L3MBTL1 Q9Y468 2/20 0.48
SMN1; SMN2 Q16637 5/20 0.47
RAB9A P51151 4/20 0.46
NPC1 O15118 3/20 0.46
APEX1 P27695 1/20 0.46
LMNA P02545 3/20 0.46
GAA P10253 1/20 0.46
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C19 P33261 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
GLA P06280 1/20 0.45
CRHBP P24387 1/20 0.45

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
SCHEMBL9583552 0.89 MEN1 (0.51) PKMMAPTKMT2AMEN1MAOB
SCHEMBL9582618 0.88 MEN1 (0.50) PKMMAPTKMT2AMEN1MAOB
SCHEMBL9583436 0.87 KMT2A (0.49) PKMMAPTKMT2AMEN1MAOB
SCHEMBL9583943 0.87 ALDH1A1 (0.52) MAPTKMT2AMEN1L3MBTL1SMN1; SMN2
Acetic Acid SCHEMBL9583104 0.85 PTPN1 (0.54) MAPTKMT2AMEN1PTPN1MAOB
Acetic Acid SCHEMBL9583114 0.85 PTPN1 (0.54) MAPTKMT2AMEN1PTPN1MAOB
SCHEMBL9583852 0.84 PTPN1 (0.55) MAPTKMT2AMEN1PTPN1MAOB
SCHEMBL9583864 0.84 PTPN1 (0.55) MAPTKMT2AMEN1PTPN1MAOB
SCHEMBL8945754 0.81 KMT2A (0.46) MAPTKMT2AMEN1PTPN1MAOB
SCHEMBL9582403 0.80 NPC1 (0.68) MAPTKMT2AMEN1PTPN1MAOB

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-4469889-A 2-(2-Nitrophenyl)-1-phenylethanone oxime acetates HOECHST-ROUSSEL PHARMACEUTICALS, INCORPORATED (US) 1984-09-04 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-4459231-A Process for preparing 4-phenyl-1,3-benzodiazepines HOECHST-ROUSSEL PHARMACEUTICALS, INCORPORATED (US) 1984-07-10 US disclosed
US-4459230-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