SCHEMBL8945818

SCHEMBL8945818

O=C(Cc1ccccc1[N+](=O)[O-])c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.59
MAOB P27338 1/20 0.59
MEN1 O00255 5/20 0.56
KMT2A Q03164 5/20 0.56
ALDH1A1 P00352 4/20 0.56
NPC1 O15118 4/20 0.56
RAB9A P51151 4/20 0.56
SMN1; SMN2 Q16637 3/20 0.56
CYP2C19 P33261 2/20 0.56
CYP3A4 P08684 1/20 0.56
CYP2D6 P10635 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.55
TSHR P16473 1/20 0.53
LMNA P02545 3/20 0.52
MAPT P10636 1/20 0.52
HTT P42858 1/20 0.52
POLB P06746 1/20 0.50

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
SCHEMBL9582709 0.87 KMT2A (0.54) MAOAMAOBMEN1KMT2AALDH1A1
SCHEMBL10936231 0.87 NPC1 (0.63) MAOAMAOBMEN1KMT2AALDH1A1
SCHEMBL9582743 0.87 MAOB (0.59) MAOAMAOBMEN1KMT2AALDH1A1
SCHEMBL28337088 0.85 ALDH1A1 (0.55) MAOAMAOBMEN1KMT2AALDH1A1
SCHEMBL74692 0.84 CYP1A2 (0.62) MEN1KMT2AALDH1A1NPC1RAB9A
SCHEMBL9582403 0.84 NPC1 (0.68) MAOAMAOBMEN1KMT2ANPC1
SCHEMBL30751161 0.84 NPC1 (0.68) MAOAMAOBMEN1KMT2ANPC1
SCHEMBL19329494 0.83 CYP1A2 (0.70) MAOAMAOBMEN1KMT2AALDH1A1
SCHEMBL9690178 0.82 ALDH1A1 (0.58) MEN1KMT2AALDH1A1NPC1RAB9A
Hydrochloric Acid SCHEMBL2530464 0.82 CYP1A2 (0.60) MEN1KMT2AALDH1A1NPC1RAB9A

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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-64000055-A None JP disclosed
US-20120288885-A1 METHOD AND KIT FOR MEASURING ENZYMATIC ACTIVITIES OF VARIOUS CYTOCHROME P450 MOLECULE SPECIES COMPREHENSIVELY AND WITH HIGH EFFICIENCY NATIONAL INSTITUTE OF ADVANCED INDUSTRIAL SCIENCE AND TECHNOLGOY (JP) 2012-11-15 US disclosed
CN-101484161-A Cannabinoid receptor antagonists/iN. V.erse agonists JENRIN DISCOVERY (US) 2009-07-15 CN disclosed
US-5510346-A ANTIDEPRESSANTS, ANTIANXIETY AGENTS HOECHST MARION ROUSSEL, INC. (US) 1996-04-23 US disclosed
US-5292760-A 4-heteroaryl-1,3-benzodiazepines and 2-substituted-α-(heteroaryl)benzeneethanamines HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1994-03-08 US disclosed
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-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