SCHEMBL11017309

SCHEMBL11017309

CCCc1ccc(-c2nc3cc(C#N)ccc3[nH]2)c(OC)c1S

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AMY1A P0DUB6 5/20 0.40
▸ MEN1 O00255 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ MAPK10 P53779 1/20 0.36
▸ PKN1 Q16512 1/20 0.35
▸ PKN2 Q16513 1/20 0.35
▸ RHEB Q15382 1/20 0.35
▸ MAP3K8 P41279 1/20 0.34
▸ CHEK2 O96017 1/20 0.34
▸ METAP2 P50579 1/20 0.33
▸ METAP1 P53582 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ RECQL P46063 1/20 0.33
▸ SSTR2 P30874 1/20 0.32

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
SCHEMBL11018934 0.92 AMY1A (0.41) AMY1AMAPK10PKN1PKN2RHEB
SCHEMBL11019293 0.84 AMY1A (0.49) AMY1AMAPK10PKN1PKN2RHEB
SCHEMBL11016884 0.80 CHEK2 (0.41) AMY1ACHEK2
SCHEMBL10416024 0.78 PDE5A (0.41) AMY1AKDM4EALDH1A1HPGDJAK2
SCHEMBL11021667 0.78 AMY1A (0.38) AMY1AMEN1KMT2APKN1PKN2
SCHEMBL11020861 0.73 ATM (0.41) MEN1KMT2APKN1PKN2RHEB
SCHEMBL11019171 0.73 TDP1 (0.42) MEN1KMT2ACHEK2KDM4EALDH1A1
SCHEMBL10415591 0.72 PDE5A (0.41) AMY1AKDM4EALDH1A1HPGD
SCHEMBL11017894 0.72 CHEK2 (0.43) AMY1AMEN1KMT2ACHEK2KDM4E
SCHEMBL11017329 0.72 AR (0.50) AMY1AMEN1KMT2AMAPK10PKN1

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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