SCHEMBL6174113

SCHEMBL6174113

CC1(Cc2ccncc2NS(N)(=O)=O)NC(=O)N(c2ccc(S(=O)(=O)C(F)(F)F)cc2)C1=O

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 2/20 0.40
KMT2A Q03164 1/20 0.37
CYP2C9 P11712 2/20 0.35
TP53 P04637 1/20 0.35
CYP3A4 P08684 1/20 0.35
GAA P10253 1/20 0.35
CYP2C19 P33261 1/20 0.35
ALDH1A1 P00352 1/20 0.35
AR P10275 4/20 0.34
NAMPT P43490 1/20 0.34
MAPT P10636 1/20 0.33
THRB P10828 2/20 0.32
PTGS1 P23219 1/20 0.32
PTGS2 P35354 1/20 0.32
LMNA P02545 1/20 0.31

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
SCHEMBL6174555 0.90 IGF1R (0.40) IGF1RKMT2ACYP2C9TP53CYP3A4
SCHEMBL6176685 0.90 IGF1R (0.39) IGF1RKMT2ACYP2C9TP53CYP3A4
SCHEMBL6174225 0.88 MAPT (0.42) IGF1RKMT2ACYP2C9TP53GAA
SCHEMBL6175985 0.88 IGF1R (0.41) IGF1RKMT2ACYP2C9TP53CYP3A4
SCHEMBL6176020 0.88 IGF1R (0.40) IGF1RKMT2ACYP2C9TP53CYP3A4
SCHEMBL6172473 0.87 IGF1R (0.42) IGF1RALDH1A1AR
SCHEMBL6173238 0.87 IGF1R (0.41) IGF1RKMT2ATP53ALDH1A1NAMPT
SCHEMBL6174148 0.86 IGF1R (0.40) IGF1RKMT2ACYP2C9TP53CYP3A4
SCHEMBL6171635 0.85 IGF1R (0.38) IGF1RKMT2ACYP2C9TP53CYP3A4
SCHEMBL6175255 0.85 IGF1R (0.44) IGF1RKMT2ACYP2C9TP53CYP3A4

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-1599464-A2 NOVEL CYCLIC UREA DERIVATIVES, PREPARATION METHOD THEREOF AND PHARMACEUTICAL USE OF SAME AS KINASE INHIBITORS Aventis Pharma S.A. (FR) 2005-11-30 EP disclosed
WO-2004070050-A2 CYCLIC UREA DERIVATIVES, PREPARATION METHOD THEREOF AND PHARMACEUTICAL USE OF SAME AS KINASE INHIBITORS AVENTIS PHARMA S.A. (FR) 2004-08-19 WO disclosed