SCHEMBL7318032

SCHEMBL7318032

COc1ccc(S(=O)(=O)c2c(C(=O)N(O)NCc3cccnc3)cc(OC)c(OC)c2OC)cc1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 11/20 0.51
ALDH1A1 P00352 4/20 0.47
NPC1 O15118 1/20 0.47
KDM4E B2RXH2 1/20 0.45
POLB P06746 1/20 0.45
HPGD P15428 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
MMP1 P03956 1/20 0.45
MMP9 P14780 1/20 0.45
MMP13 P45452 1/20 0.45
ADAM17 P78536 1/20 0.45
RECQL P46063 1/20 0.45

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
SCHEMBL7314523 0.72 NAMPT (0.55) NAMPTALDH1A1SMN1; SMN2MMP1MMP9
SCHEMBL7322218 0.72 NAMPT (0.55) NAMPTALDH1A1SMN1; SMN2MMP1MMP9
SCHEMBL7506961 0.72 MMP9 (0.68) MMP1MMP9MMP13ADAM17
SCHEMBL7318036 0.71 NAMPT (0.46) NAMPTALDH1A1MMP1MMP9MMP13
SCHEMBL7445098 0.71 MMP9 (0.64) MMP1MMP9MMP13ADAM17
SCHEMBL7444538 0.71 MMP13 (0.79) MMP1MMP9MMP13ADAM17
SCHEMBL27529949 0.70 ALDH1A1 (0.57) ALDH1A1KDM4EMMP1MMP9MMP13
SCHEMBL7325342 0.70 NAMPT (0.56) NAMPTALDH1A1SMN1; SMN2MMP1MMP9
SCHEMBL7319361 0.69 MMP9 (0.56) NAMPTMMP1MMP9MMP13ADAM17
SCHEMBL163178 0.68 NAMPT (1.00) NAMPT

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
US-5929097-A INHIBIT TUMOR NECROSIS FACTOR-ALPHA CONVERTING ENZYME AMERICAN CYANAMID COMPANY (US) 1999-07-27 US disclosed