SCHEMBL6532748

SCHEMBL6532748

NC(=O)Nc1cc(C(N)=O)c(-c2cccs2)c(Cl)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 4/20 0.42
ADORA3 P0DMS8 3/20 0.42
MEN1 O00255 7/20 0.41
KMT2A Q03164 7/20 0.41
KDM4E B2RXH2 3/20 0.41
ADORA1 P30542 3/20 0.40
POLB P06746 2/20 0.39
ALDH1A1 P00352 4/20 0.39
HTT P42858 2/20 0.39
GAA P10253 2/20 0.39
LMNA P02545 2/20 0.39
F2 P00734 1/20 0.39
MAPT P10636 1/20 0.39
MAPK8 P45983 1/20 0.39
JUN P05412 1/20 0.38
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
NPC1 O15118 3/20 0.38
MAPK1 P28482 1/20 0.38

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
SCHEMBL6532745 0.70 CCNE2 (0.41) MEN1KMT2AKDM4EPOLBALDH1A1
SCHEMBL2196669 0.69 CDC7 (0.46) ADORA2AADORA3MEN1KMT2AKDM4E
SCHEMBL4314653 0.68 KDM4E (0.47) ADORA2AADORA3MEN1KMT2AKDM4E
SCHEMBL23365044 0.67 ADORA2A (0.50) ADORA2AADORA3MEN1KMT2AKDM4E
SCHEMBL6533212 0.67 PARP1 (0.44) MEN1KMT2AKDM4EPOLBALDH1A1
SCHEMBL6533209 0.67 PARP1 (0.41) ADORA2AADORA3MEN1KMT2AKDM4E
SCHEMBL4341036 0.65 KDM4E (0.50) ADORA2AADORA3MEN1KMT2AKDM4E
SCHEMBL2454771 0.65 KMT2A (0.41) MEN1KMT2AKDM4EALDH1A1GAA
SCHEMBL1385872 0.65 IKBKB (0.67) KMT2AKDM4EMAPTNPC1NPSR1
SCHEMBL2454769 0.65 KMT2A (0.41) MEN1KMT2AKDM4EALDH1A1GAA

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-2005105777-A1 SUBSTITUTED THIOPHENE AMIDE COMPOUNDS FOR THE TREATMENT OF INFLAMMATION PHARMACIA & UPJOHN COMPANY LLC (US) 2005-11-10 WO disclosed