SCHEMBL7360256

SCHEMBL7360256

O=C(O)Cc1c[nH]c2cccc(OCc3ccccc3)c12

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 3/20 0.62
MEN1 O00255 2/20 0.58
KMT2A Q03164 2/20 0.58
GAA P10253 2/20 0.58
KDM4E B2RXH2 1/20 0.58
ALDH1A1 P00352 1/20 0.58
POLB P06746 1/20 0.58
MAPT P10636 1/20 0.58
THRB P10828 1/20 0.58
DNMT1 P26358 1/20 0.58
RECQL P46063 1/20 0.58
CASP6 P55212 1/20 0.58
MCL1 Q07820 1/20 0.58
TDP1 Q9NUW8 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
PTGER1 P34995 2/20 0.52
PTGER4 P35408 2/20 0.52
PTGER3 P43115 2/20 0.52
PTGER2 P43116 2/20 0.52
CFD P00746 1/20 0.48

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
SCHEMBL31089857 0.90 HTR2A (0.60) HTR2AMEN1KMT2AGAAKDM4E
SCHEMBL6615000 0.88 HTR2A (0.68) HTR2APTGER1PTGER4PTGER3PTGER2
SCHEMBL11068196 0.85 HTR2A (0.67) HTR2AMEN1KMT2AMAPTTDP1
SCHEMBL31295159 0.83 HTR2A (0.71) HTR2AKMT2AKDM4EPOLBMAPT
SCHEMBL23805297 0.82 HTR2A (0.67) HTR2AKMT2AKDM4EMAPTTDP1
SCHEMBL11263785 0.82 HTR2A (0.67) HTR2AKMT2AKDM4EMAPTTDP1
SCHEMBL6617210 0.82 HTR2A (0.66) HTR2AMEN1KMT2AKDM4EALDH1A1
SCHEMBL7390324 0.81 HTR2A (0.55) HTR2AALDH1A1MCL1PTGER1SRD5A2
SCHEMBL6770793 0.81 KDM4E (0.64) HTR2AMEN1KMT2AGAAKDM4E
SCHEMBL23805211 0.80 HTR2A (0.71) HTR2AKDM4EMAPTLTA4HPLA2G2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1992014709-A2 CALCIUM CHANNEL ANTAGONISTS AND METHODOLOGY FOR THEIR IDENTIFICATION CAMBRIDGE NEUROSCIENCE, INC. (US) 1992-09-03 WO disclosed