SCHEMBL28894304

SCHEMBL28894304

COc1cc2nc(NCCN(C)C)nc(N3CCC(CCO)CC3)c2cc1OC

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ SPIN4 Q56A73 1/20 0.55
▸ SPIN3 Q5JUX0 1/20 0.55
▸ SPIN2B Q9BPZ2 1/20 0.55
▸ SPIN1 Q9Y657 1/20 0.55
▸ WHR1 P49842 2/20 0.54
▸ KDM1A O60341 11/20 0.52
▸ RCOR1 Q9UKL0 11/20 0.52
▸ EHMT2 Q96KQ7 9/20 0.52
▸ TLR7 Q9NYK1 2/20 0.51
▸ ENPP1 P22413 3/20 0.47
▸ TLR9 Q9NR96 1/20 0.47
▸ EHMT1 Q9H9B1 1/20 0.47

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
SCHEMBL28894334 0.85 SPIN4 (0.53) SPIN4SPIN3SPIN2BSPIN1WHR1
SCHEMBL28894176 0.81 TLR9 (0.64) TLR7ENPP1TLR9
SCHEMBL28894133 0.79 SMN1; SMN2 (0.65) EHMT2ENPP1
SCHEMBL28894141 0.77 ENPP1 (0.51) SPIN4SPIN3SPIN2BSPIN1TLR7
SCHEMBL10910816 0.75 ENPP1 (0.78) ENPP1
SCHEMBL30081011 0.75 ENPP1 (0.53) WHR1KDM1AENPP1
SCHEMBL28959656 0.75 ENPP1 (0.53) WHR1KDM1AENPP1
SCHEMBL22407601 0.73 ENPP1 (0.75) ENPP1
SCHEMBL20771328 0.73 ENPP1 (0.52) TLR7ENPP1
SCHEMBL28894177 0.73 ENPP1 (0.52) WHR1ENPP1

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
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