SCHEMBL8530147

SCHEMBL8530147

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

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.56
SOS1 Q07889 1/20 0.53
MAOB P27338 1/20 0.51
CYP19A1 P11511 2/20 0.51
STAT3 P40763 1/20 0.51
ALDH1A1 P00352 5/20 0.50
RAB9A P51151 4/20 0.50
ATM Q13315 2/20 0.50
MEN1 O00255 4/20 0.49
KMT2A Q03164 4/20 0.49
NPC1 O15118 3/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
KDM4E B2RXH2 1/20 0.48
NFKB1 P19838 1/20 0.48
NFKB2 Q00653 1/20 0.48
RELA Q04206 1/20 0.48
NPSR1 Q6W5P4 1/20 0.47
HTT P42858 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
AR P10275 1/20 0.47

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
SCHEMBL420971 1.00 MAPT (0.56) MAPTSOS1MAOBCYP19A1STAT3
SCHEMBL7298528 0.85 TSHR (0.50) MAPTSOS1MAOBCYP19A1STAT3
SCHEMBL11006035 0.85 TSHR (0.50) MAPTSOS1MAOBCYP19A1STAT3
SCHEMBL24464120 0.83 ALDH1A1 (0.52) MAPTSOS1MAOBCYP19A1STAT3
SCHEMBL9978289 0.82 MAPT (0.69) MAPTSOS1MAOBCYP19A1ALDH1A1
SCHEMBL11049170 0.82 MAPT (0.69) MAPTSOS1MAOBCYP19A1ALDH1A1
SCHEMBL14935499 0.82 MAPT (0.69) MAPTSOS1MAOBCYP19A1ALDH1A1
SCHEMBL8534442 0.81 ALDH1A1 (0.54) MAPTSOS1MAOBCYP19A1STAT3
SCHEMBL8534445 0.81 ALDH1A1 (0.54) MAPTSOS1MAOBCYP19A1STAT3
SCHEMBL11296000 0.81 MAPT (0.67) MAPTSOS1MAOBCYP19A1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4394514-A Processes for preparing 4-substituted indoles SMITHKLINE BECKMAN CORPORATION (US) 1983-07-19 US claimed
JP-60025957-A None JP disclosed
CN-107295798-A Benzazepine dicarboxamide compound 豪夫迈·罗氏有限公司 2017-10-24 CN disclosed
CN-102746211-B Method for preparing substituted indole-3-methanal compound Shanghai titan chemical co ltd 2015-05-27 CN disclosed
CN-102746211-A Method for preparing substituted indole-3-methanal compound Shanghai titan chemical co ltd 2012-10-24 CN disclosed
EP-0489547-B1 A process for the preparation of a 3-alkylated indole, intermediates, and a process for the preparation of a derivative thereof ZENECA LTD (GB) 1998-07-29 EP disclosed
US-5280125-A Chemical process for the preparation of 3-alkylated indole IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1994-01-18 US disclosed
EP-0430001-B1 Process for preparing benzaldehydes BAYER AG (DE) 1993-12-22 EP 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-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-4454337-A Semicarbazide intermediates for preparing 4-substituted indoles SMITHKLINE BECKMAN CORPORATION (US) 1984-06-12 US disclosed
US-4409145-A OXIMINATION, ESTERIFICATION, REDUCTION HOECHST-ROUSSEL PHARMACEUTICALS, INC. (US) 1983-10-11 US disclosed
US-4394514-A Processes for preparing 4-substituted indoles SMITHKLINE BECKMAN CORPORATION (US) 1983-07-19 US disclosed
US-4394514-A Processes for preparing 4-substituted indoles SMITHKLINE BECKMAN CORPORATION (US) 1983-07-19 US disclosed
US-4309424-A 4-Phenyl-1,3-benzodiazepines HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1982-01-05 US disclosed
US-3979410-A Intermediate α-acyl-β-dialkylamino-2-nitrostyrenes HOFFMANN-LA ROCHE INC. (US) 1976-09-07 US disclosed
US-3976639-A Intermediates for indoles HOFFMANN-LA ROCHE INC. (US) 1976-08-24 US disclosed
US-3931225-A Process for preparing o-nitrobenzylketones HOFFMANN-LA ROCHE INC. (US) 1976-01-06 US disclosed