SCHEMBL9729564

SCHEMBL9729564

COc1ccc2c(c1)CC(CN(O)C(N)=O)CS2

nearest known ligand 0.46

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 4/20 0.46
RYR2 Q92736 14/20 0.45
MTNR1A P48039 1/20 0.38
KCNH2 Q12809 1/20 0.37

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
SCHEMBL9730164 0.85 ALOX5 (0.64) ALOX5
Hydrochloric Acid SCHEMBL9275186 0.80 METAP1 (0.49) RYR2KCNH2
SCHEMBL9730758 0.79 RYR2 (0.44) RYR2MTNR1AKCNH2
SCHEMBL9729854 0.76 ALOX5 (0.51) ALOX5
SCHEMBL9729610 0.76 RYR2 (0.43) RYR2MTNR1AKCNH2
SCHEMBL9729947 0.76 RYR2 (0.44) RYR2KCNH2
SCHEMBL9729869 0.76 RYR2 (0.38) RYR2MTNR1AKCNH2
Formamide SCHEMBL9729568 0.75 RYR2 (0.41) RYR2MTNR1AKCNH2
SCHEMBL9729845 0.74 ALOX5 (0.62) ALOX5MTNR1A
SCHEMBL9213535 0.72 RYR2 (0.49) RYR2KCNH2

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-5155130-A Lipoxygenase inhibitors CIBA-GEIGY CORPORATION (US) 1992-10-13 US disclosed
EP-0412939-A2 Certain benzopyran and benzothiopyran derivatives CIBA-GEIGY AG (CH) 1991-02-13 EP disclosed