SCHEMBL1504853

SCHEMBL1504853

COc1ccc(C(=O)NC(C)C(CO)N2CCN(S(C)(=O)=O)CC2)cc1

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 10/20 0.58
KMT2A Q03164 1/20 0.46
POLB P06746 2/20 0.46
TP53 P04637 1/20 0.46
KDM1A O60341 1/20 0.45
ADAM10 O14672 1/20 0.43
MMP3 P08254 1/20 0.43
ADAM9 Q13443 1/20 0.43
ALDH1A1 P00352 2/20 0.43
TAS1R3 Q7RTX0 1/20 0.43
TAS1R1 Q7RTX1 1/20 0.43
HTT P42858 1/20 0.42

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
SCHEMBL10476143 0.79 ADAM17 (0.70) ADAM17KMT2APOLBTP53ADAM10
SCHEMBL1504806 0.77 ADAM17 (0.80) ADAM17KMT2APOLBTP53ADAM10
SCHEMBL15327563 0.73 ADAM17 (1.00) ADAM17ADAM10MMP3ADAM9
SCHEMBL1504458 0.73 ADAM17 (1.00) ADAM17ADAM10MMP3ADAM9
SCHEMBL1504776 0.72 ADAM17 (0.63) ADAM17KMT2AADAM10MMP3
SCHEMBL1504674 0.72 ADAM17 (0.61) ADAM17ADAM10MMP3ADAM9ALDH1A1
SCHEMBL1504528 0.71 ADAM17 (0.62) ADAM17ADAM10MMP3ADAM9ALDH1A1
SCHEMBL1504741 0.71 ADAM17 (0.83) ADAM17ADAM10MMP3ADAM9ALDH1A1
SCHEMBL10724027 0.71 TAS1R3 (0.58) ADAM17KMT2APOLBTP53ALDH1A1
SCHEMBL1504682 0.70 ADAM17 (0.41) ADAM17KMT2APOLBADAM10MMP3

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
WO-2011033009-A1 N- [2-HYDROXYCARBAMOYL-2- (PIPERAZINYL) ETHYL] BENZAMIDE COMPOUNDS, THEIR PREPARATION AND THEIR USE AS TACE INHIBITORS GALDERMA RESEARCH & DEVELOPMENT (FR) 2011-03-24 WO disclosed