SCHEMBL2931269

SCHEMBL2931269

O=C1[C@@H](Cc2ccccc2)N(Cc2ccnc3ccccc23)C(=O)N1c1ccc(S(=O)(=O)C(F)(F)F)cc1

nearest known ligand 0.74

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 2/20 0.74
HSD11B1 P28845 1/20 0.37
TACR1 P25103 4/20 0.36
HDAC6 Q9UBN7 2/20 0.35
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.34
SMO Q99835 2/20 0.34
MMP2 P08253 3/20 0.32
MAPK1 P28482 1/20 0.32
KMT2A Q03164 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC8 Q9BY41 1/20 0.32

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
SCHEMBL2931273 1.00 IGF1R (0.74) IGF1RHSD11B1TACR1HDAC6KDM4E
Trifluoroacetic Acid SCHEMBL3739554 0.96 IGF1R (0.69) IGF1RHSD11B1TACR1HDAC6PTGDR2
SCHEMBL2934906 0.93 IGF1R (0.70) IGF1RHSD11B1TACR1HDAC6ALDH1A1
SCHEMBL2934912 0.93 IGF1R (0.70) IGF1RHSD11B1TACR1HDAC6ALDH1A1
Trifluoroacetic Acid SCHEMBL3724562 0.91 IGF1R (0.65) IGF1RHSD11B1TACR1HDAC6LMNA
Trifluoroacetic Acid SCHEMBL2935701 0.91 IGF1R (0.65) IGF1RHSD11B1TACR1HDAC6LMNA
SCHEMBL2940864 0.90 IGF1R (0.72) IGF1RHSD11B1HDAC6KDM4EALDH1A1
SCHEMBL2940866 0.90 IGF1R (0.72) IGF1RHSD11B1HDAC6KDM4EALDH1A1
SCHEMBL3724561 0.88 IGF1R (0.63) IGF1RHSD11B1TACR1HDAC6LMNA
SCHEMBL2937103 0.87 IGF1R (0.69) IGF1RHSD11B1KDM4EALDH1A1LMNA

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 1 patent. 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