SCHEMBL9075809

SCHEMBL9075809

COC1(c2csc(S(=O)(=O)c3ccc(/C(C)=N\O)cc3)c2)CCOCC1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 10/20 0.45
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
KMT2A Q03164 1/20 0.34
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31
PKM P14618 1/20 0.31
CYP2C19 P33261 1/20 0.31
POLB P06746 1/20 0.31
CA2 P00918 1/20 0.30

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
SCHEMBL9075812 1.00 ALOX5 (0.45) ALOX5LMNAMAPTKMT2ACYP3A4
SCHEMBL9075806 1.00 ALOX5 (0.45) ALOX5LMNAMAPTKMT2ACYP3A4
SCHEMBL9074404 0.81 ALOX5 (0.41) ALOX5LMNAMAPTKMT2A
SCHEMBL9074407 0.81 ALOX5 (0.41) ALOX5LMNAMAPTKMT2A
SCHEMBL9074400 0.81 ALOX5 (0.41) ALOX5LMNAMAPTKMT2A
SCHEMBL9075180 0.81 ALOX5 (0.43) ALOX5
SCHEMBL9077212 0.80 ALOX5 (0.39) ALOX5
SCHEMBL9077205 0.80 ALOX5 (0.39) ALOX5
SCHEMBL9077210 0.80 ALOX5 (0.39) ALOX5
SCHEMBL9075981 0.78 ALOX5 (0.50) ALOX5LMNAMAPTKMT2APOLB

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
US-5482966-A LIPOXYGENASE ENZYME INHIBITORS AS ANTIINFLAMMATORY AGENTS ZENECA LIMITED (GB) 1996-01-09 US disclosed
US-5332757-A Enzyme inhibitors ZENECA LIMITED (GB) 1994-07-26 US disclosed