SCHEMBL6174225

SCHEMBL6174225

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

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.42
CYP2C9 P11712 1/20 0.41
THRB P10828 1/20 0.40
IGF1R P08069 1/20 0.38
KMT2A Q03164 1/20 0.37
CCR9 P51686 6/20 0.35
TP53 P04637 1/20 0.35
PTGS1 P23219 1/20 0.35
PTGS2 P35354 1/20 0.35
LMNA P02545 2/20 0.35
GAA P10253 1/20 0.35
CCR2 P41597 1/20 0.35
ITGAL P20701 1/20 0.34
ALDH1A1 P00352 1/20 0.34

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
SCHEMBL6177613 0.90 IGF1R (0.41) MAPTCYP2C9THRBIGF1RKMT2A
SCHEMBL6224943 0.90 CCR9 (0.46) MAPTCYP2C9THRBKMT2ACCR9
SCHEMBL6174113 0.88 IGF1R (0.40) MAPTCYP2C9THRBIGF1RKMT2A
SCHEMBL6174555 0.87 IGF1R (0.40) MAPTCYP2C9IGF1RKMT2ATP53
SCHEMBL6176685 0.86 IGF1R (0.39) MAPTCYP2C9THRBIGF1RKMT2A
SCHEMBL6171635 0.85 IGF1R (0.38) CYP2C9IGF1RKMT2ATP53GAA
SCHEMBL6171779 0.85 IGF1R (0.40) MAPTCYP2C9THRBIGF1RKMT2A
SCHEMBL6171403 0.85 IGF1R (0.43) MAPTCYP2C9THRBIGF1RKMT2A
SCHEMBL6176020 0.84 IGF1R (0.40) MAPTCYP2C9IGF1RKMT2ATP53
SCHEMBL6173238 0.84 IGF1R (0.41) IGF1RKMT2ATP53PTGS1PTGS2

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