SCHEMBL5048867

SCHEMBL5048867

O=C(O)c1nc(-c2csc(C(=O)O)n2)cs1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ECE1 P42892 1/20 0.42
KDM4E B2RXH2 4/20 0.41
ALDH1A1 P00352 2/20 0.41
KDM4A O75164 2/20 0.41
KDM4B O94953 2/20 0.41
KDM5C P41229 2/20 0.41
KDM5B Q9UGL1 2/20 0.41
KDM6B O15054 1/20 0.41
KDM2A Q9Y2K7 1/20 0.41
KDM3A Q9Y4C1 1/20 0.41
NR1H4 Q96RI1 1/20 0.40
RAB9A P51151 4/20 0.39
HTT P42858 2/20 0.39
POLB P06746 1/20 0.39
GAA P10253 1/20 0.39
NPC1 O15118 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
GABRA5 P31644 1/20 0.36
GABRB2 P47870 1/20 0.36
HSD17B10 Q99714 1/20 0.36

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
SCHEMBL5048865 0.84 KDM4A (0.49) ECE1KDM4EALDH1A1KDM4AKDM4B
SCHEMBL167820 0.83 RAB9A (0.58) KDM4EALDH1A1NR1H4RAB9AHTT
SCHEMBL5734275 0.82 KDM4E (0.51) KDM4EALDH1A1NR1H4RAB9AHTT
SCHEMBL31401012 0.82 HSD17B10 (0.40) ECE1KDM4EALDH1A1KDM4AKDM4B
SCHEMBL3740171 0.82 ADORA3 (0.58) KDM4EALDH1A1KDM4AKDM4BKDM5C
SCHEMBL7080116 0.82 HDAC1 (0.49) KDM4EALDH1A1KDM4AKDM4BKDM5C
SCHEMBL27519503 0.80 ATP4A (0.58) RAB9ANPC1MAPT
SCHEMBL6558546 0.80 SPHK2 (0.46) ECE1ALDH1A1RAB9ACYP1A2
SCHEMBL4413970 0.80 KDM4E (0.70) KDM4EALDH1A1NR1H4RAB9AHTT
SCHEMBL8460 0.80

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