SCHEMBL6174133

SCHEMBL6174133

CC(c1ccncc1-c1ccc(F)cc1)C1(C(C)c2ccncc2-c2ccc(F)cc2)NC(=O)N(c2ccc(S(=O)(=O)C(F)(F)F)cc2)C1=O

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.39
KMT2A Q03164 2/20 0.36
TSHR P16473 1/20 0.36
LMNA P02545 1/20 0.34
HTT P42858 1/20 0.34
IGF1R P08069 1/20 0.33
SLC22A12 Q96S37 2/20 0.33
TRPV3 Q8NET8 2/20 0.33
CACNA1B Q00975 2/20 0.33
PTGS2 P35354 3/20 0.32
PTGS1 P23219 1/20 0.32
RORC P51449 1/20 0.32
AR P10275 1/20 0.32
ALDH1A1 P00352 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
SCHEMBL6174915 0.92 MAPT (0.38) TP53KMT2ALMNAIGF1RSLC22A12
SCHEMBL6173005 0.91 CYP3A4 (0.43) KMT2AIGF1RSLC22A12TRPV3CACNA1B
SCHEMBL6173750 0.85 KMT2A (0.39) TP53KMT2ALMNAHTTIGF1R
SCHEMBL6176692 0.85 KMT2A (0.36) TP53KMT2ATSHRLMNAHTT
SCHEMBL6171727 0.85 HSD11B1 (0.36) TP53KMT2ATSHRLMNAHTT
SCHEMBL6174716 0.84 KMT2A (0.36) TP53KMT2ALMNAHTTIGF1R
SCHEMBL6173546 0.84 KMT2A (0.36) TP53KMT2ALMNAHTTIGF1R
SCHEMBL6177145 0.84 IGF1R (0.40) TP53KMT2ALMNAHTTIGF1R
SCHEMBL6172519 0.82 IGF1R (0.38) TP53KMT2ALMNAHTTIGF1R
SCHEMBL6172022 0.82 KMT2A (0.36) TP53KMT2ALMNAHTTIGF1R

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