SCHEMBL31275868

SCHEMBL31275868

NC(=S)N1C2CCC1CNC2

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 1/20 0.32
OPRM1 P35372 1/20 0.32

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
SCHEMBL1008154 0.76 KDM4E (0.34) NOS2OPRM1
SCHEMBL31510752 0.76 KDM4E (0.34) NOS2OPRM1
SCHEMBL26923104 0.75 MGLL (0.33) NOS2
SCHEMBL1237978 0.70 HSD11B1 (0.39)
SCHEMBL30686924 0.70 OPRM1 (0.33) OPRM1
SCHEMBL31514922 0.70 OPRM1 (0.33) OPRM1
SCHEMBL1404442 0.68 CHRNB2 (0.34) OPRM1
SCHEMBL21808534 0.68 CHRNB2 (0.34) OPRM1
SCHEMBL3174694 0.68 CHRNB2 (0.34) OPRM1
Hydrochloric Acid SCHEMBL6336086 0.67 CHRNB2 (0.33) OPRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113135896-B Methylpyrazole derivatives as RET inhibitors 正大天晴药业集团股份有限公司 2024-12-06 CN disclosed