SCHEMBL9583552

SCHEMBL9583552

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

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 7/20 0.51
KMT2A Q03164 7/20 0.51
MAPT P10636 3/20 0.51
LMNA P02545 1/20 0.51
L3MBTL1 Q9Y468 2/20 0.50
GLA P06280 1/20 0.50
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
MAOB P27338 1/20 0.47
ALDH1A1 P00352 3/20 0.44
PKM P14618 1/20 0.44
CYP2C19 P33261 3/20 0.43
POLB P06746 1/20 0.43
CYP3A4 P08684 2/20 0.42
CYP2D6 P10635 2/20 0.42
CYP1A2 P05177 1/20 0.42
TDP1 Q9NUW8 1/20 0.42

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
SCHEMBL9582618 0.91 MEN1 (0.50) MEN1KMT2AMAPTLMNAL3MBTL1
SCHEMBL9583436 0.90 KMT2A (0.49) MEN1KMT2AMAPTLMNAL3MBTL1
SCHEMBL9583109 0.89 PKM (0.60) MEN1KMT2AMAPTLMNAL3MBTL1
SCHEMBL9583943 0.85 ALDH1A1 (0.52) MEN1KMT2AMAPTLMNAL3MBTL1
SCHEMBL8945754 0.83 KMT2A (0.46) MEN1KMT2AMAPTLMNAL3MBTL1
SCHEMBL9583475 0.83 MEN1 (0.44) MEN1KMT2AMAPTLMNAL3MBTL1
Acetic Acid SCHEMBL11109031 0.83 MEN1 (0.51) MEN1KMT2AMAPTLMNAL3MBTL1
Acetic Acid SCHEMBL9583560 0.83 MEN1 (0.51) MEN1KMT2AMAPTLMNAL3MBTL1
SCHEMBL9582990 0.79 MEN1 (0.49) MEN1KMT2AMAPTLMNAL3MBTL1
SCHEMBL1461488 0.78 LMNA (0.48) MEN1KMT2AMAPTLMNAL3MBTL1

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-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-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