SCHEMBL8797404

SCHEMBL8797404

Cc1csc(-c2csc(-c3ccc(C)n3C)n2)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP2 O95551 2/20 0.35
ALDH1A1 P00352 5/20 0.35
MEN1 O00255 4/20 0.35
KMT2A Q03164 4/20 0.35
HSD17B10 Q99714 4/20 0.35
KDM4E B2RXH2 3/20 0.35
HPGD P15428 3/20 0.35
TDP1 Q9NUW8 2/20 0.35
TP53 P04637 2/20 0.35
CYP3A4 P08684 1/20 0.35
ALOX15 P16050 1/20 0.35
BRCA1 P38398 1/20 0.35
BACE1 P56817 1/20 0.34
MAPT P10636 4/20 0.34
RAB9A P51151 3/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
CASP3 P42574 1/20 0.34
SENP8 Q96LD8 1/20 0.34
SENP7 Q9BQF6 1/20 0.34
SENP6 Q9GZR1 1/20 0.34

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
SCHEMBL7842733 0.77 TDP2 (0.36) TDP2BACE1
SCHEMBL8797403 0.72 KDM4E (0.41) ALDH1A1MEN1KMT2AHSD17B10KDM4E
SCHEMBL16003687 0.68 ALDH1A1 (0.58) ALDH1A1MEN1KMT2AHSD17B10KDM4E
SCHEMBL2053087 0.65 MET (0.42) TDP2KMT2ABACE1CYP19A1MET
SCHEMBL21005981 0.64 AR (0.47) ALDH1A1MEN1KMT2AKDM4ETDP1
SCHEMBL10372624 0.62 CCR1 (0.54) ALDH1A1MEN1KMT2AKDM4EHPGD
SCHEMBL9773308 0.61 DAO (0.44) TDP2MET
SCHEMBL2053272 0.61 COMT (0.41) TDP2ALDH1A1KDM4ECYP3A4BACE1
SCHEMBL12278905 0.60 TDP2 (0.35) TDP2BACE1
SCHEMBL21143879 0.60

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
EP-0772606-A1 SUBSTITUTED THIAZOLES FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1997-05-14 EP disclosed
WO-1996003392-A1 SUBSTITUTED THIAZOLES FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1996-02-08 WO disclosed