SCHEMBL2453022

SCHEMBL2453022

O=C(CBr)Nc1nc(-c2ccc(C(F)(F)F)c(Cl)c2)cs1

nearest known ligand 0.55

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 9/20 0.55
TRPA1 O75762 7/20 0.50
TRPV4 Q9HBA0 4/20 0.50
MAPT P10636 1/20 0.48
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47

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
SCHEMBL480562 0.91 TRPA1 (0.59) ABL1TRPA1TRPV4MAPTKMT2A
SCHEMBL480598 0.88 TRPA1 (0.61) ABL1TRPA1TRPV4KMT2AMEN1
SCHEMBL2455704 0.86 ABL1 (0.72) ABL1TRPA1MAPTKMT2AMEN1
SCHEMBL480671 0.85 TRPA1 (0.58) ABL1TRPA1TRPV4KMT2AMEN1
SCHEMBL2449783 0.84 TRPA1 (0.60) ABL1TRPA1TRPV4KMT2AMEN1
SCHEMBL4418963 0.81 GSTO1 (0.66) TRPA1TRPV4MAPTKMT2A
SCHEMBL15417595 0.81 ABL1 (0.56) ABL1TRPA1MAPTKMT2AMEN1
SCHEMBL13570250 0.80 TRPA1 (0.46) ABL1TRPA1TRPV4KMT2AMEN1
SCHEMBL4417203 0.80 TRPA1 (0.61) ABL1TRPA1TRPV4MAPTKMT2A
SCHEMBL4411028 0.80 TRPA1 (0.60) TRPA1TRPV4MAPTKMT2AMEN1

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-2011114184-A1 AMIDES OF HETEROCYCLIC COMPOUNDS AS TRPA1 INHIBITORS GLENMARK PHARMACEUTICALS S.A. (CH) 2011-09-22 WO disclosed