SCHEMBL6172497

SCHEMBL6172497

CC(c1ccnc(C(=O)Oc2ccccc2)c1)C1(C(C)c2ccnc(C(=O)Oc3ccccc3)c2)NC(=O)N(c2ccc(S(=O)(=O)C(F)(F)F)cc2)C1=O

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 2/20 0.37
LMNA P02545 1/20 0.33
AR P10275 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP3A4 P08684 1/20 0.33
GAA P10253 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
THRB P10828 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
PTGS2 P35354 2/20 0.31
EPHX2 P34913 1/20 0.31
MAPT P10636 1/20 0.31
PTGS1 P23219 1/20 0.31
KMT2A Q03164 1/20 0.31
TRPV3 Q8NET8 1/20 0.31
PTGDR2 Q9Y5Y4 1/20 0.30

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
SCHEMBL6171821 0.88 PDE2A (0.39) LMNAALDH1A1CYP3A4GAACYP2C9
SCHEMBL6173852 0.87 IGF1R (0.37) IGF1RARMAPTPTGS1KMT2A
SCHEMBL6172914 0.86 IGF1R (0.38) IGF1RLMNAARCYP3A4GAA
SCHEMBL6175536 0.85 IGF1R (0.37) IGF1RLMNAARALDH1A1CYP3A4
SCHEMBL6171339 0.85 IGF1R (0.39) IGF1RLMNAARALDH1A1CYP3A4
SCHEMBL6173425 0.83 LMNA (0.38) IGF1RLMNAALDH1A1CYP3A4GAA
SCHEMBL6175019 0.82 DPP4 (0.37) IGF1RLMNAARALDH1A1GAA
SCHEMBL6176124 0.81 IGF1R (0.42) IGF1RLMNAARSMN1; SMN2KMT2A
SCHEMBL6175145 0.81 ALDH1A1 (0.40) IGF1RLMNAALDH1A1CYP3A4GAA
SCHEMBL6171994 0.81 ALDH1A1 (0.37) IGF1RLMNAALDH1A1CYP3A4GAA

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