SCHEMBL6794449

SCHEMBL6794449

O=C(NO)C(CSc1ccccc1)CS(=O)(=O)c1ccc(-c2ccc(F)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 10/20 0.50
MMP2 P08253 7/20 0.47
MMP9 P14780 7/20 0.47
MMP8 P22894 5/20 0.47
MMP1 P03956 5/20 0.45
MMP3 P08254 5/20 0.45
MMP7 P09237 1/20 0.43
MMP14 P50281 1/20 0.43
ALDH1A1 P00352 1/20 0.43
GAA P10253 1/20 0.43
MEP1B Q16820 1/20 0.41
BCL2 P10415 1/20 0.40
BCL2L1 Q07817 1/20 0.40

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
SCHEMBL6784051 0.89 MMP2 (0.52) MMP13MMP2MMP9MMP8MMP1
SCHEMBL6794468 0.88 MMP2 (0.47) MMP13MMP2MMP9MMP8MMP1
SCHEMBL6789191 0.86 MMP13 (0.47) MMP13MMP2MMP9MMP8MMP1
SCHEMBL6789136 0.80 KMT2A (0.50) MMP13MMP2MMP9MMP8MMP1
SCHEMBL6788890 0.80 BCL2L1 (0.49) MMP13MMP2MMP9MMP8MMP1
SCHEMBL6790233 0.79 MMP2 (0.45) MMP13MMP2MMP9MMP8MMP1
SCHEMBL6783118 0.76 MMP2 (0.62) MMP13MMP2MMP9MMP8MMP1
SCHEMBL6796186 0.76 MMP2 (0.62) MMP13MMP2MMP9MMP8MMP1
SCHEMBL6783185 0.76 MMP2 (0.62) MMP13MMP2MMP9MMP8MMP1
SCHEMBL6789365 0.76 KMT2A (0.48) MMP13MMP2MMP9MMP8MMP1

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-6765003-B1 ANTICARCINOGENIC, ANTITUMOR, AND ANTIMETASTASIS AGENTS; RHEUMATOID ARTHRITIS, OSTEOARTHRITIS, OSTEOPOROSIS, MULTIPLE SCLEROSIS, STROKE, ARTERIOSCLEROSIS, PHARMACIA ITALIA, SPA (IT) 2004-07-20 US disclosed