SCHEMBL11020368

SCHEMBL11020368

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AMY1A P0DUB6 5/20 0.46
▸ CDK1 P06493 1/20 0.41
▸ CDK2 P24941 1/20 0.41
▸ MKNK1 Q9BUB5 1/20 0.41
▸ MKNK2 Q9HBH9 1/20 0.41
▸ HDAC6 Q9UBN7 2/20 0.38
▸ MAPT P10636 2/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ TP53 P04637 1/20 0.38
▸ FASN P49327 1/20 0.37
▸ TLR8 Q9NR97 2/20 0.36
▸ TLR7 Q9NYK1 2/20 0.36
▸ ATR Q13535 1/20 0.36
▸ DGAT1 O75907 1/20 0.35
▸ RHEB Q15382 1/20 0.35
▸ FYN P06241 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ LMNA P02545 1/20 0.34

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
SCHEMBL11020728 0.88 AMY1A (0.48) AMY1AMAPTSMN1; SMN2TP53KDM4E
SCHEMBL11019903 0.87 AMY1A (0.47) AMY1AHDAC6MAPTSMN1; SMN2TP53
SCHEMBL11022045 0.87 AMY1A (0.47) AMY1A
SCHEMBL11017268 0.85 CHEK2 (0.47) AMY1ACDK2HDAC6MAPTSMN1; SMN2
SCHEMBL11018142 0.82 AMY1A (0.43) AMY1AHDAC6MAPTSMN1; SMN2TP53
SCHEMBL11019266 0.82 AMY1A (0.43) AMY1ACDK1MAPTSMN1; SMN2TP53
SCHEMBL11020382 0.76 NPC1 (0.42) AMY1ACDK1CDK2MKNK1MKNK2
SCHEMBL11019293 0.76 AMY1A (0.49) AMY1AFASNRHEB
SCHEMBL11019017 0.76 HPSE (0.42) MAPTSMN1; SMN2TP53ALDH1A1
SCHEMBL11017894 0.75 CHEK2 (0.43) AMY1AMAPTSMN1; SMN2TP53KDM4E

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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