SCHEMBL10578104

SCHEMBL10578104

COc1cc([S+](C)[O-])ccc1-c1nc2ccc(C(C)(C)C#N)cc2[nH]1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ SCN10A Q9Y5Y9 1/20 0.41
▸ AMY1A P0DUB6 14/20 0.40
▸ PDE5A O76074 2/20 0.37
▸ PDE3B Q13370 1/20 0.37
▸ PDE3A Q14432 1/20 0.37
▸ DGAT1 O75907 1/20 0.36
▸ SOAT1 P35610 1/20 0.36
▸ KCNH2 Q12809 1/20 0.36
▸ ALOX5 P09917 1/20 0.35
▸ EPHX2 P34913 1/20 0.35
▸ METAP2 P50579 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
SCHEMBL10578096 0.92 AMY1A (0.37) SCN10AAMY1APDE5APDE3BPDE3A
SCHEMBL11017158 0.84 PKN1 (0.46) AMY1AMETAP2
SCHEMBL10575621 0.82 AMY1A (0.36) AMY1APDE5APDE3BPDE3A
SCHEMBL10580157 0.82 CDK4 (0.47) SCN10AAMY1A
SCHEMBL10578739 0.80 AMY1A (0.36) AMY1APDE5APDE3BPDE3A
SCHEMBL11017149 0.78 MAPK10 (0.41) AMY1APDE5APDE3BPDE3A
SCHEMBL10765920 0.78 AMY1A (0.39) AMY1APDE5APDE3BPDE3ADGAT1
SCHEMBL10742305 0.76 PDE5A (0.47) AMY1APDE5APDE3BPDE3A
SCHEMBL9703649 0.75 AMY1A (0.43) AMY1APDE5APDE3BPDE3A
SCHEMBL10852513 0.74 AMY1A (0.40) AMY1APDE5APDE3BPDE3A

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-4882342-A CARDIOVASCULAR DISORDERS BOEHRINGER MANNHEIM GMBH (DE) 1989-11-21 — — US disclosed
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