SCHEMBL4752617

SCHEMBL4752617

CCCSc1nc(SCCC)c2nnn([C@@H]3O[C@H](CCC(=O)O)[C@@H](O)[C@H]3O)c2n1

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ P2RY12 Q9H244 10/20 0.46
▸ SLC29A1 Q99808 2/20 0.40
▸ KDM1A O60341 1/20 0.37
▸ DNMT1 P26358 1/20 0.36
▸ DNMT3B Q9UBC3 1/20 0.36
▸ ADORA3 P0DMS8 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
SCHEMBL7476307 0.70 MEN1 (0.50) P2RY12KDM1A
SCHEMBL4752109 0.68 P2RY12 (0.54) P2RY12ADORA3
SCHEMBL7477673 0.68 P2RY12 (0.58) P2RY12ADORA3
SCHEMBL6998360 0.67 KDM1A (0.48) P2RY12KDM1A
SCHEMBL4752579 0.66 P2RY12 (0.77) P2RY12ADORA3
SCHEMBL4750414 0.66 P2RY12 (0.77) P2RY12ADORA3
SCHEMBL4752624 0.65 P2RY12 (0.78) P2RY12SLC29A1ADORA3
SCHEMBL19712299 0.65 P2RY12 (0.44) P2RY12KDM1A
SCHEMBL16770199 0.60 P2RY12 (0.54) P2RY12SLC29A1ADORA3
SCHEMBL7506513 0.60 P2RY12 (0.84) P2RY12SLC29A1ADORA3

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
JP-4084415-B2 — — 2008-04-30 — — JP claimed
EP-0840740-B1 NEW INHIBITORS OF PLATELET AGGREGATION ASTRAZENECA AB (SE) 2002-05-02 — — EP claimed
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