SCHEMBL5048865

SCHEMBL5048865

O=C(O)c1nc(-c2cscn2)cs1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4A O75164 4/20 0.49
KDM4B O94953 4/20 0.49
KDM5C P41229 4/20 0.49
KDM5B Q9UGL1 4/20 0.49
KDM4E B2RXH2 6/20 0.44
ECE1 P42892 2/20 0.40
HSD17B10 Q99714 1/20 0.37
KDM6B O15054 1/20 0.36
KDM2A Q9Y2K7 1/20 0.36
KDM3A Q9Y4C1 1/20 0.36
METAP1 P53582 2/20 0.35
HDAC6 Q9UBN7 2/20 0.34
HDAC3 O15379 1/20 0.34
HDAC1 Q13547 1/20 0.34
NR1H4 Q96RI1 1/20 0.33
ALDH1A1 P00352 1/20 0.33
RAB9A P51151 2/20 0.32
NPC1 O15118 1/20 0.32
TP53 P04637 1/20 0.32
CYP1A2 P05177 1/20 0.32

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
SCHEMBL5048867 0.84 ECE1 (0.42) KDM4AKDM4BKDM5CKDM5BKDM4E
SCHEMBL3740171 0.72 ADORA3 (0.58) KDM4AKDM4BKDM5CKDM5BKDM4E
SCHEMBL7080116 0.72 HDAC1 (0.49) KDM4AKDM4BKDM5CKDM5BKDM4E
SCHEMBL6558546 0.71 SPHK2 (0.46) ECE1ALDH1A1RAB9ACYP1A2
SCHEMBL7964249 0.71 TSHR (0.50) KDM4AKDM4BKDM5CKDM5BKDM4E
SCHEMBL167820 0.70 RAB9A (0.58) KDM4EHSD17B10NR1H4ALDH1A1RAB9A
SCHEMBL15580281 0.70 HDAC1 (0.53) KDM4AKDM4BKDM5CKDM5BKDM4E
SCHEMBL31401011 0.70 LMNA (0.55) KDM4EHDAC6HDAC3HDAC1ALDH1A1
SCHEMBL3746725 0.70 CSNK2A1 (0.56) KDM4ENR1H4ALDH1A1RAB9ANPC1
SCHEMBL9286689 0.69 ALDH1A1 (0.43) KDM4AKDM4BKDM5CKDM5BKDM4E

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-1983980-A2 THIAZOLE AND THIADIAZOLE COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES Synta Pharmaceuticals Corporation (US) 2008-10-29 EP claimed
WO-2007087427-A2 THIAZOLE AND THIADIAZOLE COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2007-08-02 WO claimed