SCHEMBL6171635

SCHEMBL6171635

CC1(Cc2ccncc2NS(=O)(=O)c2cccs2)NC(=O)N(c2ccc(S(=O)(=O)C(F)(F)F)cc2)C1=O

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 2/20 0.38
KDM4E B2RXH2 1/20 0.35
GAA P10253 1/20 0.35
TSHR P16473 1/20 0.35
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
HPGD P15428 1/20 0.34
CYP2C19 P33261 1/20 0.34
CCR2 P41597 5/20 0.34
KMT2A Q03164 2/20 0.33
ALDH1A1 P00352 3/20 0.33
TP53 P04637 1/20 0.32
BRD4 O60885 2/20 0.32
NAMPT P43490 1/20 0.32
MEN1 O00255 1/20 0.32
AR P10275 1/20 0.32

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
SCHEMBL6173018 0.88 CCR9 (0.37) KDM4EGAATSHRCYP1A2CYP3A4
SCHEMBL6174225 0.85 MAPT (0.42) IGF1RGAACYP2C9CCR2KMT2A
SCHEMBL6174113 0.85 IGF1R (0.40) IGF1RGAACYP3A4CYP2C9CYP2C19
SCHEMBL6174555 0.84 IGF1R (0.40) IGF1RGAACYP3A4CYP2C9CYP2C19
SCHEMBL6176685 0.84 IGF1R (0.39) IGF1RGAACYP3A4CYP2C9CYP2C19
SCHEMBL2936600 0.83 IGF1R (0.57) IGF1RKDM4EGAATSHRCYP1A2
SCHEMBL6173238 0.83 IGF1R (0.41) IGF1RKDM4EKMT2AALDH1A1TP53
SCHEMBL6174148 0.82 IGF1R (0.40) IGF1RKDM4EGAACYP3A4CYP2C9
SCHEMBL6176020 0.82 IGF1R (0.40) IGF1RGAACYP3A4CYP2C9CYP2C19
SCHEMBL6175985 0.80 IGF1R (0.41) IGF1RGAACYP3A4CYP2C9CYP2C19

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