SCHEMBL18900696

SCHEMBL18900696

Cc1cccc2[nH]cc(Cc3nn(C/C(=N/N)NN)c(=O)c4ccccc34)c12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CMA1 P23946 6/20 0.52
▸ GPR84 Q9NQS5 1/20 0.43
▸ TSHR P16473 1/20 0.40
▸ CYP1A2 P05177 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ KMT2A Q03164 3/20 0.39
▸ MAPT P10636 1/20 0.39
▸ ALOX15 P16050 1/20 0.38
▸ MEN1 O00255 2/20 0.37
▸ GLA P06280 1/20 0.37
▸ POLB P06746 2/20 0.36
▸ AKR1B1 P15121 1/20 0.36
▸ TP53 P04637 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ RXFP1 Q9HBX9 1/20 0.36

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
SCHEMBL7963167 0.85 CMA1 (0.49) CMA1GPR84TSHRCYP1A2CYP3A4
SCHEMBL6115201 0.84 CMA1 (0.54) CMA1GPR84TSHRCYP1A2CYP3A4
SCHEMBL18900943 0.83 CMA1 (0.53) CMA1GPR84TSHRCYP1A2CYP3A4
SCHEMBL18900945 0.83 CMA1 (0.53) CMA1GPR84TSHRCYP1A2CYP3A4
SCHEMBL18900819 0.83 CMA1 (0.52) CMA1GPR84TSHRCYP1A2CYP3A4
SCHEMBL18900859 0.82 GPR84 (0.52) CMA1GPR84TSHRCYP1A2CYP3A4
SCHEMBL18900860 0.82 CMA1 (0.52) CMA1GPR84TSHRCYP1A2CYP3A4
SCHEMBL7965706 0.77 CMA1 (0.44) CMA1GPR84TSHRCYP1A2CYP3A4
SCHEMBL7950640 0.75 CMA1 (0.44) CMA1GPR84TSHRCYP1A2CYP3A4
SCHEMBL7960283 0.72 CMA1 (0.65) CMA1GPR84TSHRCYP1A2CYP3A4

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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