SCHEMBL22455005

SCHEMBL22455005

COc1cc2ncnc(N3CCC(CCNS(N)(=O)=O)CC3)c2cc1O

nearest known ligand 0.87

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ENPP1 P22413 20/20 0.87

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
SCHEMBL20782729 0.93 ENPP1 (1.00) ENPP1
SCHEMBL25682479 0.90 ENPP1 (0.87) ENPP1
SCHEMBL20782511 0.90 ENPP1 (0.85) ENPP1
SCHEMBL22407360 0.90 ENPP1 (0.85) ENPP1
SCHEMBL30117286 0.90 ENPP1 (1.00) ENPP1
SCHEMBL23727320 0.90 ENPP1 (1.00) ENPP1
SCHEMBL22455353 0.89 ENPP1 (0.91) ENPP1
SCHEMBL25682595 0.89 ENPP1 (0.87) ENPP1
SCHEMBL22441422 0.88 ENPP1 (0.86) ENPP1
SCHEMBL22407609 0.88 ENPP1 (0.85) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020190912-A1 QUINOLINE AND QUINAZOLINE COMPOUNDS AND METHODS OF USE THEREOF Stingray Therapeutics, Inc. (US) 2020-09-24 WO disclosed