SCHEMBL6173787

SCHEMBL6173787

COc1ccc2nccc(C(C)C3NC(=O)N(c4ccc(S(=O)(=O)C(F)(F)F)cc4)C3=O)c2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 2/20 0.42
LMNA P02545 3/20 0.36
KDM4E B2RXH2 6/20 0.36
ALDH1A1 P00352 4/20 0.36
NPSR1 Q6W5P4 3/20 0.36
PMP22 Q01453 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
GLA P06280 1/20 0.36
HPGD P15428 1/20 0.36
CYP2D6 P10635 4/20 0.35
SLC2A1 P11166 1/20 0.34
NCF1 P14598 1/20 0.33
SLC22A1 O15245 3/20 0.33
ABCB11 O95342 3/20 0.33
ABCB1 P08183 3/20 0.33
ADRA2A P08913 3/20 0.33
SLC6A4 P31645 3/20 0.33
OPRM1 P35372 3/20 0.33
SCN1A P35498 3/20 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
SCHEMBL6250336 0.88 IGF1R (0.43) IGF1RLMNA
SCHEMBL6173280 0.86 IGF1R (0.42) IGF1RLMNA
SCHEMBL6172293 0.85 IGF1R (0.40) IGF1RLMNAKDM4EALDH1A1NPSR1
SCHEMBL6174189 0.83 IGF1R (0.42) IGF1RLMNAKDM4EALDH1A1NPSR1
SCHEMBL6169084 0.81 IGF1R (0.44) IGF1RLMNA
SCHEMBL6176096 0.81 IGF1R (0.42) IGF1RLMNAADRA1A
SCHEMBL6172547 0.81 IGF1R (0.41) IGF1RLMNA
SCHEMBL6175007 0.80 SLC22A12 (0.42) IGF1RLMNAALDH1A1CYP3A4CYP2C9
SCHEMBL6174593 0.80 IGF1R (0.42) IGF1RLMNAKDM4EALDH1A1NPSR1
SCHEMBL6173224 0.80 LMNA (0.36) IGF1RLMNAKDM4EALDH1A1NPSR1

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