SCHEMBL9729610

SCHEMBL9729610

COc1ccc2c(c1)CC(CNO)CS2

nearest known ligand 0.43

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
RYR2 Q92736 15/20 0.43
MTNR1A P48039 2/20 0.43
KCNH2 Q12809 1/20 0.43
CYP19A1 P11511 1/20 0.40
CYP26A1 O43174 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
Formamide SCHEMBL9729568 0.93 RYR2 (0.41) RYR2MTNR1AKCNH2CYP19A1
SCHEMBL9730758 0.86 RYR2 (0.44) RYR2MTNR1AKCNH2CYP19A1CYP26A1
SCHEMBL9729947 0.83 RYR2 (0.44) RYR2KCNH2CYP19A1CYP26A1
Hydrochloric Acid SCHEMBL9275186 0.80 METAP1 (0.49) RYR2KCNH2CYP19A1CYP26A1
SCHEMBL9729564 0.76 ALOX5 (0.46) RYR2MTNR1AKCNH2
SCHEMBL9085563 0.75 DRD2 (0.54) RYR2KCNH2
Hydrochloric Acid SCHEMBL752467 0.74 DRD2 (0.53) RYR2KCNH2
SCHEMBL9213535 0.73 RYR2 (0.49) RYR2KCNH2
SCHEMBL9213539 0.71 RYR2 (0.47) RYR2KCNH2
SCHEMBL9729869 0.71 RYR2 (0.38) RYR2MTNR1AKCNH2

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