SCHEMBL6172453

SCHEMBL6172453

CCCCOC(=O)Nc1cc(CC2(C)NC(=O)N(c3ccc(S(=O)(=O)C(F)(F)F)cc3)C2=O)ccn1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 7/20 0.40
GAA P10253 2/20 0.37
KMT2A Q03164 2/20 0.35
ALDH1A1 P00352 1/20 0.35
GLA P06280 1/20 0.35
PKM P14618 3/20 0.35
THRB P10828 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
MAPT P10636 2/20 0.34
AR P10275 2/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33
ALOX12 P18054 1/20 0.33

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
SCHEMBL6175372 0.93 IGF1R (0.41) IGF1RGAAKMT2AALDH1A1PKM
SCHEMBL6174414 0.91 IGF1R (0.38) IGF1RPKMTHRBMAPTAR
SCHEMBL6174016 0.88 IGF1R (0.41) IGF1RGAAALDH1A1MAPTAR
SCHEMBL6175090 0.87 IGF1R (0.54) IGF1RMAPT
SCHEMBL6173886 0.86 IGF1R (0.40) IGF1RGAAKMT2AALDH1A1THRB
SCHEMBL6176335 0.84 CYP3A4 (0.46) IGF1RGAAKMT2AALDH1A1PKM
SCHEMBL2939593 0.84 IGF1R (0.59) IGF1R
SCHEMBL6172182 0.83 LMNA (0.44) IGF1RGAAKMT2AALDH1A1THRB
SCHEMBL6174108 0.83 NPC1 (0.39) IGF1RGAAKMT2AALDH1A1AR
SCHEMBL6176511 0.83 NAMPT (0.43) IGF1R

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