SCHEMBL9528181

SCHEMBL9528181

CC(=O)Nc1ccc2c(c1)-c1c([nH]c3ccccc13)C2

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.56
KDM4E B2RXH2 3/20 0.56
MTNR1A P48039 2/20 0.56
MTNR1B P49286 2/20 0.56
MAOA P21397 3/20 0.53
CYP1A2 P05177 1/20 0.53
ADRA2A P08913 1/20 0.53
SLC6A2 P23975 1/20 0.53
HTR2C P28335 1/20 0.53
SLC6A4 P31645 1/20 0.53
HTR2B P41595 1/20 0.53
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
ALDH1A1 P00352 2/20 0.47
MEN1 O00255 2/20 0.47
MAPT P10636 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
POLB P06746 1/20 0.43
ESR1 P03372 1/20 0.42
HPGD P15428 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
SCHEMBL9526977 0.85 MAOA (0.56) KMT2AKDM4EMTNR1AMTNR1BMAOA
SCHEMBL10381546 0.77 MAOA (0.45) KMT2AKDM4EMTNR1AMTNR1BMAOA
SCHEMBL9527759 0.77 CA1 (0.60) KMT2AKDM4EMTNR1AMTNR1BMAOA
SCHEMBL8946370 0.74 KIF11 (0.53) KMT2AKDM4ECYP1A2MEN1HPGD
SCHEMBL8946421 0.73 CA1 (0.55) KDM4ECYP1A2NPC1RAB9AALDH1A1
SCHEMBL9527201 0.73 KDM4E (0.60) KMT2AKDM4EMTNR1AMTNR1BMAOA
SCHEMBL31488126 0.73 MTNR1A (1.00) KMT2AKDM4EMTNR1AMTNR1BMAOA
SCHEMBL22616930 0.73 MAOA (0.86) KMT2AKDM4EMTNR1AMTNR1BMAOA
SCHEMBL7722965 0.73 MTNR1A (1.00) KMT2AKDM4EMTNR1AMTNR1BMAOA
SCHEMBL28178463 0.73 CYP1A2 (0.88) KMT2AKDM4EMAOACYP1A2ADRA2A

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