SCHEMBL7363686

SCHEMBL7363686

O=C(NO)C1(C(c2ccc(OCc3cccc4cnccc34)cc2)=S(=O)=O)CCNCC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 4/20 0.41
MMP13 P45452 2/20 0.41
MMP1 P03956 2/20 0.40
ROS1 P08922 1/20 0.39
RPS6KB1 P23443 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
MMP3 P08254 3/20 0.39
ADAMTS4 O75173 1/20 0.39
MMP7 P09237 1/20 0.39
MMP8 P22894 1/20 0.39
ADAMTS1 Q9UHI8 1/20 0.39
ADAMTS5 Q9UNA0 1/20 0.39
PARP10 Q53GL7 1/20 0.39
TRPV1 Q8NER1 2/20 0.37
OPRM1 P35372 1/20 0.37
OPRD1 P41143 1/20 0.37
MMP2 P08253 1/20 0.36
MMP10 P09238 2/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL7355321 0.90 MMP1 (0.40) ADAM17MMP13MMP1ROS1RPS6KB1
SCHEMBL7354778 0.85 ADAM17 (0.45) ADAM17MMP13MMP1HDAC6MMP3
SCHEMBL7362515 0.82 ADAM17 (0.47) ADAM17MMP13MMP1MMP3ADAMTS4
SCHEMBL7363680 0.78 ADAM17 (0.55) ADAM17MMP13MMP1MMP3MMP2
SCHEMBL7356674 0.75 ADAM17 (0.44) ADAM17MMP13MMP1HDAC6MMP3
SCHEMBL6796783 0.72 MMP1 (0.43) ADAM17MMP13MMP1MMP3MMP8
SCHEMBL7353437 0.72 ADAM17 (0.46) ADAM17MMP13MMP1MMP3ADAMTS4
SCHEMBL7355311 0.69 MMP13 (0.54) ADAM17MMP13MMP1MMP3MMP7
SCHEMBL7427244 0.68 ADAM17 (0.42) ADAM17MMP13MMP1ADAMTS4TRPV1
SCHEMBL7424285 0.67 ADAM17 (0.43) ADAM17MMP13MMP1ADAMTS4MMP2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1077974-A1 SUBSTITUTED ARYL HYDROXAMIC ACIDS AS METALLOPROTEINASE INHIBITORS Du Pont Pharmaceuticals Company (US) 2001-02-28 EP claimed
WO-1999058528-A1 SUBSTITUTED ARYL HYDROXAMIC ACIDS AS METALLOPROTEINASE INHIBITORS BRISTOL-MYERS SQUIBB PHARMA COMPANY. (US) 1999-11-18 WO claimed