SCHEMBL28959652

SCHEMBL28959652

COc1cc2nc(C)nc(N3CCC(CCOS(N)(=O)=O)CC3)c2cc1OC

nearest known ligand 0.55

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ENPP1 P22413 20/20 0.55

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
SCHEMBL28894163 0.89 SMN1; SMN2 (0.56) ENPP1
SCHEMBL28894167 0.87 TLR9 (0.55) ENPP1
SCHEMBL28959651 0.87 ENPP1 (0.52) ENPP1
SCHEMBL28894251 0.86 ENPP1 (0.53) ENPP1
SCHEMBL28894046 0.86 ENPP1 (0.53) ENPP1
SCHEMBL28894260 0.86 SMN1; SMN2 (0.51) ENPP1
SCHEMBL28894158 0.86 ENPP1 (0.73) ENPP1
SCHEMBL28959654 0.85 ENPP1 (0.50) ENPP1
SCHEMBL28894340 0.85 ENPP1 (0.52) ENPP1
SCHEMBL28894325 0.85 ENPP1 (0.50) ENPP1

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
CN-115362150-A ENPP1 inhibitor, composition and application thereof 贝达药业股份有限公司 2022-11-18 CN claimed
CN-115362150-A ENPP1 inhibitor, composition and application thereof 贝达药业股份有限公司 2022-11-18 CN disclosed