SCHEMBL18900819

SCHEMBL18900819

CSNC(=O)Cn1nc(Cc2c[nH]c3cccc(C)c23)c2ccccc2c1=O

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CMA1 P23946 5/20 0.52
▸ RAB9A P51151 1/20 0.44
▸ GPR84 Q9NQS5 1/20 0.44
▸ ALOX15 P16050 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ CYP1A2 P05177 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ GLA P06280 1/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ MAPT P10636 1/20 0.41
▸ AKR1B1 P15121 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ POLB P06746 1/20 0.40
▸ SMN1; SMN2 Q16637 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
SCHEMBL18900943 0.88 CMA1 (0.53) CMA1RAB9AGPR84ALOX15TSHR
SCHEMBL18900860 0.86 CMA1 (0.52) CMA1RAB9AGPR84ALOX15TSHR
SCHEMBL6115201 0.86 CMA1 (0.54) CMA1RAB9AGPR84ALOX15TSHR
SCHEMBL18900859 0.85 GPR84 (0.52) CMA1GPR84ALOX15TSHRCYP1A2
SCHEMBL18900696 0.83 CMA1 (0.52) CMA1RAB9AGPR84ALOX15TSHR
SCHEMBL18900945 0.82 CMA1 (0.53) CMA1RAB9AGPR84ALOX15TSHR
SCHEMBL7963167 0.82 CMA1 (0.49) CMA1RAB9AGPR84ALOX15TSHR
SCHEMBL7965706 0.76 CMA1 (0.44) CMA1GPR84TSHRCYP1A2CYP3A4
SCHEMBL7950640 0.76 CMA1 (0.44) CMA1GPR84ALOX15TSHRCYP1A2
SCHEMBL7960283 0.74 CMA1 (0.65) CMA1GPR84ALOX15TSHRCYP1A2

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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