SCHEMBL11019293

SCHEMBL11019293

COc1c(-c2nc3cc(C#N)ccc3[nH]2)ccc(C)c1S

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ AMY1A P0DUB6 6/20 0.49
▸ MAPK10 P53779 1/20 0.39
▸ PKN1 Q16512 1/20 0.38
▸ PKN2 Q16513 1/20 0.38
▸ RHEB Q15382 1/20 0.38
▸ CFB P00751 5/20 0.37
▸ CHEK2 O96017 1/20 0.37
▸ FASN P49327 3/20 0.36
▸ METAP2 P50579 1/20 0.36
▸ METAP1 P53582 1/20 0.36
▸ SSTR2 P30874 1/20 0.36
▸ KCNH2 Q12809 1/20 0.36

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
SCHEMBL11021667 0.89 AMY1A (0.38) AMY1APKN1PKN2RHEBCHEK2
SCHEMBL11018934 0.85 AMY1A (0.41) AMY1AMAPK10PKN1PKN2RHEB
SCHEMBL11017309 0.84 AMY1A (0.40) AMY1AMAPK10PKN1PKN2RHEB
SCHEMBL11020728 0.78 AMY1A (0.48) AMY1ACHEK2
SCHEMBL11022045 0.77 AMY1A (0.47) AMY1ACHEK2
SCHEMBL11019903 0.77 AMY1A (0.47) AMY1ARHEB
SCHEMBL7279881 0.76 AMY1A (0.47) AMY1A
SCHEMBL10580031 0.76 AMY1A (0.46) AMY1A
SCHEMBL11020368 0.76 AMY1A (0.46) AMY1ARHEBFASN
SCHEMBL11017268 0.76 CHEK2 (0.47) AMY1ARHEBCHEK2

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
EP-0148431-A1 Benzimidazoles, their preparation, and medicaments containing these compounds Dr. Karl Thomae GmbH (DE) 1985-07-17 — — EP disclosed
Send feedback