SCHEMBL28360509

SCHEMBL28360509

O=c1ccn([C@H]2O[C@@H](COP(=O)(O)O)[C@H](O)[C@@H]2O)c(=O)n1S

nearest known ligand 0.66

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ UMPS P11172 1/20 0.66
▸ P2RY2 P41231 14/20 0.59
▸ P2RY6 Q15077 10/20 0.59
▸ P2RY4 P51582 5/20 0.56
▸ DNPH1 O43598 1/20 0.52
▸ P2RY14 Q15391 1/20 0.51

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
SCHEMBL29558937 0.91 P2RY6 (0.66) P2RY2P2RY6P2RY4
SCHEMBL28994989 0.88 UMPS (0.53) UMPSP2RY2P2RY6P2RY4DNPH1
SCHEMBL31685569 0.86 UMPS (0.66) UMPSP2RY2P2RY6P2RY4P2RY14
SCHEMBL29106652 0.83 UMPS (0.62) UMPSP2RY2P2RY6P2RY4DNPH1
SCHEMBL19998422 0.81 P2RY6 (0.64) UMPSP2RY2P2RY6P2RY4DNPH1
SCHEMBL20004063 0.81 P2RY6 (0.64) UMPSP2RY2P2RY6P2RY4DNPH1
SCHEMBL31685495 0.80 UMPS (0.77) UMPSP2RY2P2RY6P2RY4P2RY14
SCHEMBL19998441 0.79 P2RY6 (0.57) UMPSP2RY2P2RY6P2RY4DNPH1
SCHEMBL19998420 0.79 P2RY6 (0.62) UMPSP2RY2P2RY6P2RY4
SCHEMBL20003893 0.79 P2RY6 (0.57) UMPSP2RY2P2RY6P2RY4DNPH1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110846320-B Novel compound and application thereof 厦门甘宝利生物医药有限公司 2020-10-30 — — CN claimed
CN-110846320-B Novel compound and application thereof 厦门甘宝利生物医药有限公司 2020-10-30 — — CN disclosed
CN-110846320-A Novel compound and application thereof 厦门甘宝利生物医药有限公司 2020-02-28 — — CN disclosed
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