SCHEMBL4411028

SCHEMBL4411028

O=C(CBr)Nc1nc(-c2cccc(C(F)(F)F)c2)cs1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 2/20 0.60
CFTR P13569 2/20 0.60
TRPV3 Q8NET8 1/20 0.59
TRPV4 Q9HBA0 1/20 0.59
SIRT5 Q9NXA8 1/20 0.56
CSNK2A2 P19784 1/20 0.56
CSNK2B P67870 1/20 0.56
CSNK2A1 P68400 1/20 0.56
CSNK2A3 Q8NEV1 1/20 0.56
MAPT P10636 5/20 0.55
MAPK1 P28482 2/20 0.55
MPL P40238 1/20 0.54
KDM4E B2RXH2 4/20 0.53
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
ALDH1A1 P00352 1/20 0.53
HDAC1 Q13547 3/20 0.51
HDAC6 Q9UBN7 3/20 0.51
HDAC9 Q9UKV0 3/20 0.51
HDAC3 O15379 2/20 0.51

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
SCHEMBL13570207 0.88 GSTO1 (0.50) TRPA1CFTRTRPV3TRPV4MAPK1
SCHEMBL4418963 0.85 GSTO1 (0.66) TRPA1TRPV4SIRT5CSNK2A2CSNK2B
SCHEMBL18724400 0.84 ABL1 (0.69) TRPA1CFTRTRPV3TRPV4SIRT5
SCHEMBL10288914 0.83 MEN1 (0.65) CSNK2A2CSNK2BCSNK2A1CSNK2A3MAPT
SCHEMBL21586314 0.83 ABL1 (0.70) CFTRSIRT5MAPTMAPK1MEN1
SCHEMBL4410156 0.81 FFAR4 (0.49) TRPA1TRPV3TRPV4MEN1KMT2A
SCHEMBL2452315 0.81 ELOVL1 (0.72) MAPTMAPK1MEN1KMT2AALDH1A1
SCHEMBL4411635 0.81 TRPA1 (0.58) TRPA1TRPV4MAPTMPLMEN1
SCHEMBL480598 0.81 TRPA1 (0.61) TRPA1TRPV4MPLMEN1KMT2A
SCHEMBL480671 0.81 TRPA1 (0.58) TRPA1TRPV4MPLMEN1KMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009144548-A1 IMIDAZO [2,1-B] PURINE DERIVATIVES AS TRPA1 MODULATORS GLENMARK PHARMACEUTICALS S.A. (CH) 2009-12-03 WO disclosed
WO-2009144548-A1 IMIDAZO [2,1-B] PURINE DERIVATIVES AS TRPA1 MODULATORS GLENMARK PHARMACEUTICALS S.A. (CH) 2009-12-03 WO disclosed