SCHEMBL28894334

SCHEMBL28894334

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

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SPIN4 Q56A73 1/20 0.53
SPIN3 Q5JUX0 1/20 0.53
SPIN2B Q9BPZ2 1/20 0.53
SPIN1 Q9Y657 1/20 0.53
ENPP1 P22413 15/20 0.51
WHR1 P49842 1/20 0.49
KDM1A O60341 2/20 0.46
EHMT2 Q96KQ7 2/20 0.46
RCOR1 Q9UKL0 2/20 0.46
TLR7 Q9NYK1 1/20 0.45

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
SCHEMBL28894141 0.93 ENPP1 (0.51) SPIN4SPIN3SPIN2BSPIN1ENPP1
SCHEMBL28894046 0.85 ENPP1 (0.53) ENPP1
SCHEMBL28894304 0.85 SPIN4 (0.55) SPIN4SPIN3SPIN2BSPIN1ENPP1
SCHEMBL28894167 0.83 TLR9 (0.55) ENPP1TLR7
SCHEMBL28894147 0.83 ENPP1 (0.51) ENPP1
SCHEMBL28894360 0.82 ENPP1 (0.56) ENPP1
SCHEMBL28959652 0.82 ENPP1 (0.55) ENPP1
SCHEMBL28894163 0.81 SMN1; SMN2 (0.56) ENPP1
SCHEMBL28959651 0.79 ENPP1 (0.52) ENPP1
SCHEMBL28894158 0.78 ENPP1 (0.73) 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
CN-115362150-A ENPP1 inhibitor, composition and application thereof 贝达药业股份有限公司 2022-11-18 CN disclosed