SCHEMBL2940925

SCHEMBL2940925

O=C1[C@@H](Cc2ccccc2)N(Cc2ccncc2)C(=O)N1c1ccc(S(=O)(=O)C(F)(F)F)cc1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 2/20 0.50
HDAC6 Q9UBN7 6/20 0.46
SMO Q99835 3/20 0.42
HDAC1 Q13547 2/20 0.38
HDAC2 Q92769 2/20 0.38
HDAC8 Q9BY41 2/20 0.38
MMP2 P08253 3/20 0.38
GAA P10253 1/20 0.38
TP53 P04637 1/20 0.37
LMNA P02545 1/20 0.37
HDAC3 O15379 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC10 Q969S8 1/20 0.36
HDAC9 Q9UKV0 1/20 0.36
HDAC5 Q9UQL6 1/20 0.36
POLB P06746 1/20 0.36

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
SCHEMBL2940931 1.00 IGF1R (0.50) IGF1RHDAC6SMOHDAC1HDAC2
Trifluoroacetic Acid SCHEMBL3724828 0.95 HDAC6 (0.47) IGF1RHDAC6SMOHDAC1HDAC2
SCHEMBL2939939 0.90 IGF1R (0.44) IGF1RHDAC6HDAC1HDAC2HDAC8
SCHEMBL2939941 0.90 IGF1R (0.44) IGF1RHDAC6HDAC1HDAC2HDAC8
Trifluoroacetic Acid SCHEMBL3728277 0.88 HDAC6 (0.42) IGF1RHDAC6HDAC1HDAC2HDAC8
SCHEMBL2937762 0.85 IGF1R (0.50) IGF1RHDAC6SMOGAATP53
SCHEMBL2937759 0.85 IGF1R (0.50) IGF1RHDAC6SMOGAATP53
SCHEMBL3728275 0.85 IGF1R (0.41) IGF1RHDAC6GAATP53LMNA
SCHEMBL2931273 0.83 IGF1R (0.74) IGF1RHDAC6SMOHDAC1HDAC2
SCHEMBL2931269 0.83 IGF1R (0.74) IGF1RHDAC6SMOHDAC1HDAC2

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