SCHEMBL18887413

SCHEMBL18887413

Cc1cccc2[nH]cc(C(C)c3nn(Cc4nnn[nH]4)c(=O)c4ccccc34)c12

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ GPR139 Q6DWJ6 3/20 0.35
▸ CMA1 P23946 2/20 0.32
▸ HTT P42858 1/20 0.31
▸ PDE5A O76074 1/20 0.31
▸ KMT2A Q03164 3/20 0.31
▸ MAPT P10636 2/20 0.31
▸ GPR84 Q9NQS5 1/20 0.31
▸ MEN1 O00255 1/20 0.30
▸ USP2 O75604 1/20 0.30
▸ ALOX15 P16050 1/20 0.30
▸ MAPK1 P28482 1/20 0.30

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
SCHEMBL7965706 0.80 CMA1 (0.44) CMA1HTTKMT2AMAPTGPR84
SCHEMBL6115321 0.78 PARG (0.35) GPR139CMA1HTTKMT2AMAPT
SCHEMBL1847168 0.78 GAA (0.49) GPR139CMA1HTTKMT2AMAPT
SCHEMBL1848895 0.72 POLB (0.46) HTTKMT2AGPR84MEN1
SCHEMBL1851878 0.71 CMA1 (0.44) CMA1HTTKMT2AMAPTMEN1
SCHEMBL18887412 0.70 CMA1 (0.66) CMA1
SCHEMBL1853120 0.64 CMA1 (0.35) GPR139CMA1HTTKMT2AMAPT
SCHEMBL18900859 0.62 GPR84 (0.52) CMA1KMT2AMAPTGPR84MEN1
SCHEMBL20371663 0.61 GPR84 (0.53) GPR84
SCHEMBL3689406 0.60 PGR (0.38) KMT2AGPR84MEN1

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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