SCHEMBL20006737

SCHEMBL20006737

CCN(CC)c1ccc(NC(=O)c2c(-c3cccc(Br)c3)noc2C)c(C)c1

nearest known ligand 0.72

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ GHSR Q92847 12/20 0.72
▸ KMT2A Q03164 2/20 0.56
▸ GFER P55789 3/20 0.54
▸ MAPT P10636 2/20 0.54
▸ MAPK1 P28482 2/20 0.54
▸ ALDH1A1 P00352 1/20 0.54
▸ NPSR1 Q6W5P4 1/20 0.54
▸ MEN1 O00255 1/20 0.52
▸ ALOX15 P16050 1/20 0.52
▸ GAA P10253 1/20 0.50
▸ TSHR P16473 1/20 0.50
▸ CYP1A2 P05177 1/20 0.50
▸ CYP2C19 P33261 1/20 0.50
▸ SMN1; SMN2 Q16637 1/20 0.50

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
SCHEMBL20006805 0.85 GHSR (0.56) GHSRKMT2A
SCHEMBL3637815 0.83 GHSR (1.00) GHSRKMT2AMEN1
SCHEMBL3631662 0.76 GHSR (0.85) GHSRKMT2AMEN1
SCHEMBL19995013 0.75 GHSR (1.00) GHSRMAPTMAPK1ALDH1A1TSHR
SCHEMBL3638285 0.75 GHSR (1.00) GHSRKMT2AMEN1
SCHEMBL3637512 0.74 GHSR (0.81) GHSR
SCHEMBL3631615 0.73 GHSR (1.00) GHSRKMT2ANPSR1MEN1TSHR
SCHEMBL2473629 0.72 KMT2A (0.51) KMT2AALDH1A1MEN1GAATSHR
SCHEMBL2470464 0.71 CACNA1F (0.50) GHSRKMT2AMAPK1ALDH1A1MEN1
SCHEMBL3636455 0.70 GHSR (1.00) GHSRKMT2AMEN1TSHR

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
WO-2018055235-A1 ISOXAZOLE-AMIDES FOR TREATING CARDIAC DISEASES UNIVERSITY OF HELSINKI (FI) 2018-03-29 — — WO disclosed
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