SCHEMBL6174547

SCHEMBL6174547

CC(c1ccncc1NS(=O)(=O)Cc1ccccc1)C1(C(C)c2ccncc2NS(=O)(=O)Cc2ccccc2)NC(=O)N(c2ccc(S(=O)(=O)C(F)(F)F)cc2)C1=O

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 1/20 0.37
NAMPT P43490 2/20 0.36
IGF1R P08069 2/20 0.35
ELANE P08246 2/20 0.34
ALDH1A1 P00352 3/20 0.33
LMNA P02545 2/20 0.33
KDM4E B2RXH2 2/20 0.33
TP53 P04637 1/20 0.33
F2 P00734 1/20 0.32
PTGS1 P23219 1/20 0.32
PTGS2 P35354 1/20 0.32
KMT2A Q03164 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
SMN1; SMN2 Q16637 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
SCHEMBL6178460 0.88 LIPE (0.38) METAP2ELANEALDH1A1
SCHEMBL6172451 0.86 KMT2A (0.36) NAMPTIGF1RALDH1A1TP53KMT2A
SCHEMBL6172506 0.86 NAMPT (0.40) NAMPTIGF1RALDH1A1LMNAKDM4E
SCHEMBL6171051 0.86 NAMPT (0.48) NAMPTELANE
SCHEMBL6172704 0.85 KMT2A (0.35) NAMPTIGF1RALDH1A1TP53KMT2A
SCHEMBL6172500 0.84 IGF1R (0.39) NAMPTIGF1RALDH1A1LMNAKDM4E
SCHEMBL6172022 0.84 KMT2A (0.36) NAMPTIGF1RALDH1A1LMNATP53
SCHEMBL6173386 0.83 ALDH1A1 (0.41) NAMPTIGF1RALDH1A1LMNAKMT2A
SCHEMBL6173613 0.83 KIF11 (0.37) NAMPTIGF1RALDH1A1LMNATP53
SCHEMBL6175242 0.82 IGF1R (0.38) NAMPTIGF1RALDH1A1LMNAKDM4E

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