SCHEMBL11018934

SCHEMBL11018934

CCc1ccc(-c2nc3cc(C#N)ccc3[nH]2)c(OC)c1S

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ AMY1A P0DUB6 4/20 0.41
▸ MAPK10 P53779 2/20 0.39
▸ PKN1 Q16512 1/20 0.36
▸ PKN2 Q16513 1/20 0.36
▸ RHEB Q15382 1/20 0.36
▸ CHEK2 O96017 1/20 0.35
▸ METAP2 P50579 1/20 0.34
▸ METAP1 P53582 1/20 0.34
▸ PTGDR2 Q9Y5Y4 2/20 0.34
▸ F7 P08709 1/20 0.34
▸ GSK3B P49841 1/20 0.34
▸ IDH1 O75874 2/20 0.33
▸ MAP3K8 P41279 1/20 0.33
▸ SSTR2 P30874 1/20 0.33
▸ KCNH2 Q12809 1/20 0.33
▸ EML4 Q9HC35 1/20 0.33
▸ ALK Q9UM73 1/20 0.33

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
SCHEMBL11017309 0.92 AMY1A (0.40) AMY1AMAPK10PKN1PKN2RHEB
SCHEMBL11019293 0.85 AMY1A (0.49) AMY1AMAPK10PKN1PKN2RHEB
SCHEMBL11017894 0.80 CHEK2 (0.43) AMY1ACHEK2
SCHEMBL11019649 0.80 RHEB (0.44) AMY1APKN1PKN2RHEB
SCHEMBL11021667 0.80 AMY1A (0.38) AMY1APKN1PKN2RHEBCHEK2
SCHEMBL11016456 0.80 CHEK2 (0.44) AMY1ACHEK2
SCHEMBL10417490 0.77 PDE5A (0.43) AMY1A
Hydrochloric Acid SCHEMBL10415973 0.76 PDE5A (0.44) AMY1A
SCHEMBL10763275 0.74 MAPK10 (0.42) MAPK10
SCHEMBL10762222 0.73 AMY1A (0.41) AMY1AMAPK10PKN1PKN2RHEB

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
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