SCHEMBL27640889

SCHEMBL27640889

NC(=O)c1ccc(C(F)(F)F)cc1-c1ccc(Cl)cn1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 1/20 0.46
KDM1A O60341 2/20 0.44
JAK2 O60674 4/20 0.44
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
HSD17B10 Q99714 1/20 0.42
KMT2A Q03164 1/20 0.42
F10 P00742 1/20 0.41
NTRK1 P04629 1/20 0.41
PTGDR2 Q9Y5Y4 1/20 0.41
GRM2 Q14416 1/20 0.40
JAK1 P23458 1/20 0.40
TYK2 P29597 1/20 0.40
PARP1 P09874 2/20 0.39
ALOX5AP P20292 1/20 0.39
FEN1 P39748 1/20 0.39
TMPRSS4 Q9NRS4 1/20 0.39
CFTR P13569 1/20 0.39

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
SCHEMBL18131148 0.78 GRM5 (0.46) CASP1JAK2KDM4EALDH1A1HPGD
SCHEMBL27909833 0.77 KDM4E (0.46) CASP1JAK2KDM4EALDH1A1HPGD
SCHEMBL7360342 0.76 BCAT2 (0.51) KDM4EPARP1ALOX5APFEN1
SCHEMBL17894102 0.75 KMT2A (0.54) CASP1ALDH1A1KMT2APARP1ALOX5AP
SCHEMBL30810258 0.75 KMT2A (0.54) CASP1ALDH1A1KMT2APARP1ALOX5AP
SCHEMBL1206950 0.73 FLT1 (0.44) CASP1KDM1AJAK2ALDH1A1HPGD
SCHEMBL17111537 0.73 JAK2 (0.46) CASP1JAK2KDM4EALDH1A1HPGD
SCHEMBL29543460 0.73 JAK2 (0.43) CASP1JAK2KDM4EALDH1A1HPGD
SCHEMBL28172285 0.73 CNR2 (0.47) CASP1JAK2KDM4EALDH1A1HPGD
SCHEMBL17111766 0.72 NTRK1 (0.44) CASP1JAK2KDM4EALDH1A1HPGD

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
CN-100475777-C Amide type carboxamide derivative TANABE SEIYAKU CO (JP) 2009-04-08 CN disclosed
CN-1860097-A Amide-type carboxamide derivative TANABE SEIYAKU CO (JP) 2006-11-08 CN disclosed