SCHEMBL18900941

SCHEMBL18900941

CCn1nc(Cc2cn(C)c3cccc(C)c23)c2ccccc2c1=O

nearest known ligand 0.79

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CMA1 P23946 11/20 0.79
▸ MAPT P10636 1/20 0.47
▸ RECQL P46063 1/20 0.46
▸ CTSG P08311 1/20 0.44
▸ CYP1A2 P05177 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ ALOX15 P16050 1/20 0.40

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
SCHEMBL7960258 0.88 CMA1 (1.00) CMA1MAPTCTSGCYP1A2CYP3A4
SCHEMBL6115259 0.87 CMA1 (1.00) CMA1MAPTCTSGCYP1A2CYP3A4
SCHEMBL1847165 0.86 CMA1 (0.80) CMA1RECQLCYP1A2CYP3A4CYP2C9
SCHEMBL18900854 0.86 CMA1 (0.76) CMA1MAPTRECQLALOX15
SCHEMBL18887412 0.82 CMA1 (0.66) CMA1CTSG
SCHEMBL7961797 0.82 CMA1 (0.78) CMA1MAPTRECQLCTSGCYP1A2
SCHEMBL18900837 0.81 CMA1 (0.77) CMA1CTSG
SCHEMBL6115315 0.81 CMA1 (0.67) CMA1CTSGCYP1A2CYP3A4CYP2C9
SCHEMBL18900823 0.81 CMA1 (0.79) CMA1CTSG
SCHEMBL7951286 0.79 CMA1 (1.00) CMA1CTSG

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
EP-2323991-B1 CHYMASE INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2017-05-31 — — EP disclosed
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