SCHEMBL6174483

SCHEMBL6174483

COc1cc(CC2(C)NC(=O)N(c3ccc(S(=O)(=O)C(F)(F)F)cc3)C2=O)ccn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 4/20 0.42
AR P10275 5/20 0.40
ITGAL P20701 1/20 0.38
KMT2A Q03164 2/20 0.37
MAPT P10636 1/20 0.36
TP53 P04637 2/20 0.35
CYP3A4 P08684 2/20 0.35
CYP2C9 P11712 2/20 0.35
CYP2C19 P33261 2/20 0.35
GAA P10253 1/20 0.35
LOX P28300 1/20 0.34
LOXL2 Q9Y4K0 1/20 0.34
THRB P10828 1/20 0.34
CCR9 P51686 1/20 0.34
ALDH1A1 P00352 1/20 0.33
MAT2A P31153 1/20 0.33
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33
CYP1A2 P05177 1/20 0.33
PGR P06401 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
SCHEMBL6172234 0.92 IGF1R (0.47) IGF1RARITGALKMT2AMAPT
SCHEMBL6177892 0.88 IGF1R (0.43) IGF1RARITGALKMT2AMAPT
SCHEMBL6173181 0.88 IGF1R (0.43) IGF1RARITGALKMT2ATP53
SCHEMBL6173575 0.87 IGF1R (0.44) IGF1RARITGALKMT2ATP53
SCHEMBL6173222 0.86 MAPT (0.41) IGF1RARITGALKMT2AMAPT
SCHEMBL6174369 0.85 IGF1R (0.45) IGF1RARITGALKMT2ATSHR
SCHEMBL6175004 0.85 IGF1R (0.42) IGF1RARITGALKMT2ATP53
SCHEMBL6175141 0.84 IGF1R (0.47) IGF1RARITGALKMT2ATP53
SCHEMBL6172121 0.84 AR (0.44) IGF1RARITGALKMT2AMAPT
SCHEMBL6178355 0.84 AR (0.44) IGF1RARITGALKMT2AMAPT

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