SCHEMBL10476143

SCHEMBL10476143

COc1ccc(C(=O)NC[C@@H](CO)N2CCN(S(C)(=O)=O)CC2)cc1

nearest known ligand 0.70

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 11/20 0.70
ADAM10 O14672 1/20 0.52
MMP3 P08254 1/20 0.52
ADAM9 Q13443 1/20 0.52
ALDH1A1 P00352 3/20 0.48
POLB P06746 2/20 0.48
TP53 P04637 1/20 0.48
LMNA P02545 2/20 0.47
KMT2A Q03164 1/20 0.47
MAPT P10636 1/20 0.47

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
SCHEMBL1504806 0.84 ADAM17 (0.80) ADAM17ADAM10MMP3ADAM9ALDH1A1
SCHEMBL15327563 0.83 ADAM17 (1.00) ADAM17ADAM10MMP3ADAM9
SCHEMBL1504458 0.83 ADAM17 (1.00) ADAM17ADAM10MMP3ADAM9
SCHEMBL1504853 0.79 ADAM17 (0.58) ADAM17ADAM10MMP3ADAM9ALDH1A1
SCHEMBL1504937 0.78 ADAM17 (0.83) ADAM17ADAM10MMP3ADAM9ALDH1A1
SCHEMBL1504741 0.78 ADAM17 (0.83) ADAM17ADAM10MMP3ADAM9ALDH1A1
SCHEMBL1504644 0.76 ADAM17 (1.00) ADAM17ADAM10MMP3ADAM9
SCHEMBL1504679 0.74 ADAM17 (0.66) ADAM17ADAM10MMP3ADAM9KMT2A
SCHEMBL1504948 0.74 ADAM17 (0.66) ADAM17ADAM10MMP3ADAM9KMT2A
SCHEMBL10276524 0.72 ADAM17 (0.55) ADAM17ALDH1A1POLBTP53LMNA

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-2477968-A1 N- [2-HYDROXYCARBAMOYL-2- (PIPERAZINYL) ETHYL]BENZAMIDE COMPOUNDS, THEIR PREPARATION AND THEIR USE AS TACE INHIBITORS Galderma Research & Development (FR) 2012-07-25 EP disclosed