SCHEMBL6173098

SCHEMBL6173098

CC1(Cc2ccncc2NS(=O)(=O)NCc2ccccc2)NC(=O)N(c2ccc(OC(F)(F)F)cc2)C1=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLT1 P17948 2/20 0.36
KDR P35968 2/20 0.36
NAMPT P43490 4/20 0.35
ALDH1A1 P00352 2/20 0.35
TRPV1 Q8NER1 1/20 0.35
KDM5A P29375 1/20 0.35
KDM4C Q9H3R0 1/20 0.35
KDM5B Q9UGL1 1/20 0.35
CCR9 P51686 2/20 0.34
CYP3A4 P08684 1/20 0.33
GAA P10253 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
HTT P42858 1/20 0.33
ELANE P08246 1/20 0.32
KCNH2 Q12809 1/20 0.32
SCN5A Q14524 1/20 0.32
SCN9A Q15858 1/20 0.32
OPRL1 P41146 1/20 0.32
EPHX2 P34913 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
SCHEMBL6177182 0.91 ALDH1A1 (0.36) FLT1KDRNAMPTALDH1A1TRPV1
SCHEMBL6173837 0.90 LIPE (0.38) FLT1KDRALDH1A1TRPV1KDM5A
SCHEMBL6175495 0.89 CYP3A4 (0.36) FLT1KDRNAMPTALDH1A1TRPV1
SCHEMBL6174148 0.88 IGF1R (0.40) NAMPTALDH1A1CYP3A4GAACYP2C9
SCHEMBL6207150 0.88 CCR9 (0.44) NAMPTALDH1A1CCR9CYP3A4GAA
SCHEMBL6172038 0.88 IGF1R (0.41) ELANE
SCHEMBL6708303 0.85 TRPV1 (0.50) NAMPTALDH1A1TRPV1KDM5AKDM4C
SCHEMBL6173183 0.83 CYP3A4 (0.39) FLT1KDRALDH1A1TRPV1KDM5A
SCHEMBL2939779 0.83 IGF1R (0.45) FLT1KDR
SCHEMBL6173018 0.82 CCR9 (0.37) FLT1KDRALDH1A1CCR9CYP3A4

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