SCHEMBL9706601

SCHEMBL9706601

CN1CCN(C(=S)Nc2nc(-c3cccc(C(F)(F)F)c3)cs2)CC1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.59
SIRT5 Q9NXA8 1/20 0.52
ALK Q9UM73 4/20 0.51
TRPA1 O75762 2/20 0.51
TRPV3 Q8NET8 1/20 0.50
TRPV4 Q9HBA0 1/20 0.50
CFTR P13569 2/20 0.49
AR P10275 1/20 0.47
CSNK2A2 P19784 1/20 0.47
CSNK2B P67870 1/20 0.47
CSNK2A1 P68400 1/20 0.47
CSNK2A3 Q8NEV1 1/20 0.47
SPHK2 Q9NRA0 2/20 0.47
SPHK1 Q9NYA1 2/20 0.47
PHGDH O43175 2/20 0.46
MAPT P10636 1/20 0.46
MAPK1 P28482 1/20 0.46
MPL P40238 1/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45

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
SCHEMBL9373268 0.88 TRPA1 (0.55) LMNASIRT5ALKTRPA1TRPV3
SCHEMBL9370487 0.87 GSTO1 (0.53) LMNASIRT5ALKTRPA1TRPV4
SCHEMBL9370793 0.86 SIRT5 (0.49) LMNASIRT5TRPA1CFTRAR
SCHEMBL9375923 0.84 MAPT (0.53) LMNAALKPHGDHMAPTMAPK1
SCHEMBL9371712 0.83 SIRT5 (0.46) LMNASIRT5TRPA1CFTRAR
SCHEMBL9376513 0.82 MEN1 (0.64) LMNAMAPTMEN1KMT2A
SCHEMBL9376491 0.80 MAOA (0.57) CSNK2A1MAPTMAPK1MEN1KMT2A
SCHEMBL9370647 0.79 KMT2A (0.54) LMNAMAPTMAPK1MEN1KMT2A
SCHEMBL9370316 0.79 MAPT (0.57) LMNASIRT5ALKPHGDHMAPT
SCHEMBL9370746 0.79 MAPT (0.53) LMNAMAPTMAPK1MEN1KMT2A

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-0519449-A1 2-Amino-4-aryl thiazoles with antiasthmatic and antiinflammatory activities on the respiratory tract BOEHRINGER MANNHEIM ITALIA S.P.A. (IT) 1992-12-23 EP disclosed