SCHEMBL2939939

SCHEMBL2939939

O=C1[C@@H](Cc2ccc(O)cc2)N(Cc2ccncc2)C(=O)N1c1ccc(S(=O)(=O)C(F)(F)F)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 3/20 0.44
HDAC6 Q9UBN7 2/20 0.41
MAPT P10636 2/20 0.37
MMP2 P08253 1/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.35
ALDH1A1 P00352 3/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
GAA P10253 1/20 0.35
CAPN1 P07384 1/20 0.34
LMNA P02545 1/20 0.34
HPGD P15428 1/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
TEAD1 P28347 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
KDM4E B2RXH2 1/20 0.34

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
SCHEMBL2939941 1.00 IGF1R (0.44) IGF1RHDAC6MAPTMMP2TSHR
Trifluoroacetic Acid SCHEMBL3728277 0.95 HDAC6 (0.42) IGF1RHDAC6MAPTMMP2TSHR
SCHEMBL2940931 0.90 IGF1R (0.50) IGF1RHDAC6MMP2GAALMNA
SCHEMBL2940925 0.90 IGF1R (0.50) IGF1RHDAC6MMP2GAALMNA
SCHEMBL3728275 0.89 IGF1R (0.41) IGF1RHDAC6MAPTTSHRMAPK1
Trifluoroacetic Acid SCHEMBL3724828 0.88 HDAC6 (0.47) IGF1RHDAC6ALDH1A1GAALMNA
SCHEMBL2934912 0.82 IGF1R (0.70) IGF1RHDAC6MMP2MAPK1ALDH1A1
SCHEMBL2934906 0.82 IGF1R (0.70) IGF1RHDAC6MMP2MAPK1ALDH1A1
SCHEMBL2939667 0.81 IGF1R (0.64) IGF1RMAPK1ALDH1A1LMNAHPGD
SCHEMBL2939674 0.81 IGF1R (0.64) IGF1RMAPK1ALDH1A1LMNAHPGD

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1599464-B1 NOVEL CYCLIC UREA DERIVATIVES, PREPARATION METHOD THEREOF AND PHARMACEUTICAL USE OF SAME AS KINASE INHIBITORS AVENTIS PHARMA SA (FR) 2010-09-22 EP disclosed
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