SCHEMBL4846044

SCHEMBL4846044

CC(C(O)(C#N)C(=O)Nc1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccc(F)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 5/20 0.51
CYP3A4 P08684 4/20 0.51
CYP2C9 P11712 3/20 0.50
ALDH1A1 P00352 1/20 0.50
HPGD P15428 1/20 0.50
CNR2 P34972 1/20 0.48
LMNA P02545 4/20 0.47
GAA P10253 1/20 0.47
TSHR P16473 1/20 0.46
IDH1 O75874 1/20 0.46
AR P10275 4/20 0.45
MAPT P10636 4/20 0.45
HTT P42858 3/20 0.45
XBP1 P17861 2/20 0.45
ABCB11 O95342 1/20 0.45
ALB P02768 1/20 0.45
PGR P06401 1/20 0.45
ADRA2C P18825 1/20 0.45
GHSR Q92847 1/20 0.45
CYP2D6 P10635 1/20 0.44

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
SCHEMBL3953118 0.83 CYP2C19 (0.52) CYP2C19CYP3A4CYP2C9ALDH1A1HPGD
SCHEMBL4620937 0.76 CYP2C19 (0.83) CYP2C19CYP3A4CYP2C9ALDH1A1HPGD
SCHEMBL17381289 0.76 CYP2C19 (0.83) CYP2C19CYP3A4CYP2C9ALDH1A1HPGD
SCHEMBL6658076 0.70 ABCC9 (0.51) CYP2C19CYP3A4CYP2C9CNR2LMNA
SCHEMBL5133570 0.68 SMN1; SMN2 (0.62) CYP3A4CYP2C9ALDH1A1LMNAGAA
SCHEMBL963688 0.68 SMN1; SMN2 (0.62) CYP3A4CYP2C9ALDH1A1LMNAGAA
SCHEMBL22092703 0.68 MAPT (0.79) ALDH1A1LMNAGAAIDH1MAPT
SCHEMBL29494989 0.68 MAPT (0.79) ALDH1A1LMNAGAAIDH1MAPT
SCHEMBL30977683 0.67 TP53 (0.65) CYP2C19CYP3A4CYP2C9ALDH1A1HPGD
SCHEMBL4455493 0.67 TP53 (0.65) CYP2C19CYP3A4CYP2C9ALDH1A1HPGD

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
EP-1929306-A2 CHEMO-SENSITIVITY ASSAYS USING TUMOR CELLS EXHIBITING PERSISTENT PHENOTYPIC CHARACTERISTICS Precision Therapeutics Inc. (US) 2008-06-11 EP disclosed
WO-2007028146-A2 CHEMO-SENSITIVITY ASSAYS USING TUMOR CELLS EXHIBITING PERSISTENT PHENOTYPIC CHARACTERISTICS PRECISION THERAPEUTICS, INC. (US) 2007-03-08 WO disclosed