SCHEMBL7206028

SCHEMBL7206028

NC(=O)CSc1nc(N)c2nc(O)n(Cc3ccccc3)c2n1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.47
TP53 P04637 1/20 0.46
ALDH1A1 P00352 4/20 0.45
POLB P06746 2/20 0.45
CPB1 P15086 1/20 0.43
TSHR P16473 2/20 0.42
RECQL P46063 1/20 0.42
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
SIRT2 Q8IXJ6 1/20 0.41
MAPK1 P28482 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
LMNA P02545 1/20 0.40

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
SCHEMBL7206750 0.92 CXCL12 (0.45) HSD17B10ALDH1A1TSHRKDM4ESIRT2
SCHEMBL2060381 0.87 CPB1 (0.48) HSD17B10ALDH1A1POLBCPB1TSHR
SCHEMBL2060168 0.86 L3MBTL1 (0.45) HSD17B10ALDH1A1POLBTSHRKDM4E
SCHEMBL7208339 0.86 ADORA3 (0.48) ALDH1A1POLBTSHRMAPK1LMNA
SCHEMBL10174463 0.85 L3MBTL1 (0.48) HSD17B10ALDH1A1TSHRKDM4EMAPK1
SCHEMBL2060503 0.85 SIRT2 (0.44) ALDH1A1POLBSIRT2LMNA
SCHEMBL2060142 0.85 ABCB1 (0.56) HSD17B10TP53ALDH1A1TSHRKDM4E
SCHEMBL7210239 0.85 ABCB1 (0.50) ALDH1A1TSHRMAPK1
SCHEMBL7209553 0.85 TSHR (0.44) HSD17B10ALDH1A1POLBTSHRKDM4E
SCHEMBL2060280 0.84 ABCB1 (0.41) HSD17B10ALDH1A1CPB1TSHRKDM4E

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-1035123-B1 NOVEL HETEROCYCLIC COMPOUNDS SUMITOMO PHARMA (JP) 2003-08-20 EP disclosed
US-6329381-B1 INTERFERONS, VIRICIDES AND ANTICARCINOGENIC AGENTS SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2001-12-11 US disclosed