SCHEMBL6174482

SCHEMBL6174482

COc1cc(C(C)C2(C(C)c3cc(OC)nc4ccccc34)NC(=O)N(c3ccc(S(=O)(=O)C(F)(F)F)cc3)C2=O)c2ccccc2n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 2/20 0.41
MAPT P10636 3/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
LMNA P02545 3/20 0.33
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
S1PR4 O95977 1/20 0.33
XBP1 P17861 1/20 0.33
S1PR1 P21453 1/20 0.33
MC4R P32245 1/20 0.33
HTT P42858 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
CYP3A4 P08684 2/20 0.32
CYP2C9 P11712 2/20 0.32
CYP2C19 P33261 2/20 0.32
THRB P10828 1/20 0.32
CYP2D6 P10635 1/20 0.32
ALDH1A1 P00352 3/20 0.31
GAA P10253 1/20 0.31

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
SCHEMBL6172518 0.87 IGF1R (0.42) IGF1RMAPTSMN1; SMN2LMNAKMT2A
SCHEMBL6172147 0.86 POLB (0.37) IGF1RLMNACYP3A4CYP2C9CYP2C19
SCHEMBL6170972 0.79 IGF1R (0.45) IGF1RMAPTSMN1; SMN2LMNAKMT2A
SCHEMBL6172276 0.78 IGF1R (0.41) IGF1RMAPTKMT2ACYP3A4CYP2C9
SCHEMBL6174593 0.77 IGF1R (0.42) IGF1RMAPTLMNAKMT2AMEN1
SCHEMBL6173607 0.77 IGF1R (0.42) IGF1RMAPTKMT2ACYP3A4CYP2C9
SCHEMBL6171811 0.76 IGF1R (0.47) IGF1RMAPTSMN1; SMN2LMNAKMT2A
SCHEMBL6175309 0.76 IGF1R (0.46) IGF1RMAPTSMN1; SMN2LMNAKMT2A
SCHEMBL6176113 0.76 IGF1R (0.42) IGF1RSMN1; SMN2LMNAKMT2AMEN1
SCHEMBL6174312 0.75 POLB (0.40) IGF1RL3MBTL1

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