SCHEMBL6174716

SCHEMBL6174716

CC(c1ccncc1Cl)C1(C(C)c2ccncc2Cl)NC(=O)N(c2ccc(S(=O)(=O)C(F)(F)F)cc2)C1=O

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.36
MAPT P10636 1/20 0.36
IGF1R P08069 2/20 0.35
MEN1 O00255 1/20 0.35
AR P10275 4/20 0.34
CYP2C9 P11712 2/20 0.34
GAA P10253 2/20 0.34
TP53 P04637 1/20 0.34
THRB P10828 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C19 P33261 1/20 0.34
ALDH1A1 P00352 1/20 0.34
NAMPT P43490 1/20 0.32
LMNA P02545 3/20 0.32
MAPK1 P28482 1/20 0.32
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 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
SCHEMBL6176692 0.89 KMT2A (0.36) KMT2AMAPTIGF1RMEN1AR
SCHEMBL6173750 0.89 KMT2A (0.39) KMT2AMAPTIGF1RARCYP2C9
SCHEMBL6173546 0.88 KMT2A (0.36) KMT2AMAPTIGF1RARCYP2C9
SCHEMBL6174915 0.87 MAPT (0.38) KMT2AMAPTIGF1RMEN1AR
SCHEMBL6172022 0.86 KMT2A (0.36) KMT2AMAPTIGF1RARCYP2C9
SCHEMBL6172519 0.86 IGF1R (0.38) KMT2AMAPTIGF1RARCYP2C9
SCHEMBL6177145 0.86 IGF1R (0.40) KMT2AMAPTIGF1RARCYP2C9
SCHEMBL6202665 0.85 SMN1; SMN2 (0.42) KMT2AMAPTIGF1RMEN1AR
SCHEMBL6170701 0.85 IGF1R (0.37) KMT2AMAPTIGF1RARCYP2C9
SCHEMBL6177902 0.85 CYP2C9 (0.35) KMT2AIGF1RMEN1ARCYP2C9

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