SCHEMBL28894147

SCHEMBL28894147

CNC(=O)Nc1nc(N2CCC(CCOS(N)(=O)=O)CC2)c2cc(OC)c(OC)cc2n1

nearest known ligand 0.51

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ENPP1 P22413 20/20 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
SCHEMBL28894046 0.87 ENPP1 (0.53) ENPP1
SCHEMBL28894360 0.84 ENPP1 (0.56) ENPP1
SCHEMBL28959652 0.84 ENPP1 (0.55) ENPP1
SCHEMBL28894334 0.83 SPIN4 (0.53) ENPP1
SCHEMBL28894163 0.83 SMN1; SMN2 (0.56) ENPP1
SCHEMBL28894141 0.82 ENPP1 (0.51) ENPP1
SCHEMBL28894167 0.81 TLR9 (0.55) ENPP1
SCHEMBL28894340 0.81 ENPP1 (0.52) ENPP1
SCHEMBL28894325 0.81 ENPP1 (0.50) ENPP1
SCHEMBL28959651 0.80 ENPP1 (0.52) 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