SCHEMBL9526977

SCHEMBL9526977

CC(=O)Nc1ccc2c3c([nH]c2c1)Cc1ccccc1-3

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 3/20 0.56
CYP1A2 P05177 1/20 0.56
ADRA2A P08913 1/20 0.56
SLC6A2 P23975 1/20 0.56
HTR2C P28335 1/20 0.56
SLC6A4 P31645 1/20 0.56
HTR2B P41595 1/20 0.56
NPC1 O15118 4/20 0.50
RAB9A P51151 4/20 0.50
KDM4E B2RXH2 3/20 0.47
KMT2A Q03164 2/20 0.47
MTNR1A P48039 1/20 0.47
MTNR1B P49286 1/20 0.47
ALDH1A1 P00352 3/20 0.47
MEN1 O00255 1/20 0.47
MAPT P10636 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
ERCC1 P07992 1/20 0.46
FEN1 P39748 1/20 0.46
ERCC4 Q92889 1/20 0.46

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
SCHEMBL9528181 0.85 KMT2A (0.56) MAOACYP1A2ADRA2ASLC6A2HTR2C
SCHEMBL10381546 0.83 MAOA (0.45) MAOACYP1A2ADRA2ASLC6A2HTR2C
SCHEMBL9527483 0.74 KMT2A (0.36) CYP1A2NPC1RAB9AKDM4EKMT2A
SCHEMBL9527201 0.73 KDM4E (0.60) MAOACYP1A2ADRA2ASLC6A2HTR2C
SCHEMBL22616930 0.73 MAOA (0.86) MAOAKDM4EKMT2AMTNR1AMTNR1B
2-Acetylaminofluorene SCHEMBL29829339 0.73 CYP1A2 (1.00) MAOACYP1A2ADRA2ASLC6A2HTR2C
2-Acetylaminofluorene SCHEMBL29364009 0.73 CYP1A2 (1.00) MAOACYP1A2ADRA2ASLC6A2HTR2C
2-Acetylaminofluorene SCHEMBL21114365 0.73 CYP1A2 (1.00) MAOACYP1A2ADRA2ASLC6A2HTR2C
2-Acetylaminofluorene SCHEMBL75140 0.73 CYP1A2 (1.00) MAOACYP1A2ADRA2ASLC6A2HTR2C
SCHEMBL28178463 0.73 CYP1A2 (0.88) MAOACYP1A2ADRA2ASLC6A2HTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5185360-A Antioxidants, free radical scavengers UNIVERSITY OF BATH (GB) 1993-02-09 US disclosed
EP-0404536-A1 Indenoindole compounds I UNIVERSITY OF BATH (GB) 1990-12-27 EP disclosed