SCHEMBL8913486

SCHEMBL8913486

Nc1nc2c(ncn2[C@@H]2C[C@H](O)[C@@H](CO)S2)c(=O)[nH]1

nearest known ligand 0.63

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 1/20 0.56
▸ STING1 Q86WV6 3/20 0.52
▸ PNP P00491 3/20 0.50
▸ HPRT1 P00492 2/20 0.48
▸ POLB P06746 1/20 0.47
▸ TK1 P04183 1/20 0.46
▸ PDE3B Q13370 1/20 0.46
▸ PDE3A Q14432 1/20 0.46
▸ USP2 O75604 1/20 0.46
▸ TSHR P16473 1/20 0.46
▸ EDNRA P25101 1/20 0.46
▸ HTR2A P28223 1/20 0.46
▸ RECQL P46063 1/20 0.46
▸ BLM P54132 1/20 0.46
▸ HBB P68871 1/20 0.46
▸ HSD17B10 Q99714 1/20 0.46

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
SCHEMBL6517600 1.00 ADORA3 (0.56) ADORA3STING1PNPHPRT1POLB
SCHEMBL9386094 1.00 ADORA3 (0.56) ADORA3STING1PNPHPRT1POLB
SCHEMBL12642438 1.00 ADORA3 (0.56) ADORA3STING1PNPHPRT1POLB
SCHEMBL9386090 1.00 ADORA3 (0.56) ADORA3STING1PNPHPRT1POLB
SCHEMBL8913491 1.00 ADORA3 (0.56) ADORA3STING1PNPHPRT1POLB
SCHEMBL21942766 0.89 ADORA3 (0.52) ADORA3STING1PNPHPRT1TK1
SCHEMBL22381969 0.89 ADORA3 (0.52) ADORA3STING1PNPHPRT1TK1
SCHEMBL20324662 0.85 POLB (0.56) ADORA3PNPHPRT1POLB
SCHEMBL8912238 0.83 ALDH1A1 (0.54) ADORA3STING1HPRT1
SCHEMBL8913594 0.83 ALDH1A1 (0.54) ADORA3STING1HPRT1

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
US-5591722-A ANTICANCER AGENTS SOUTHERN RESEARCH INSTITUTE (US) 1997-01-07 — — US claimed
US-5591722-A ANTICANCER AGENTS SOUTHERN RESEARCH INSTITUTE (US) 1997-01-07 — — US disclosed
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