SCHEMBL11022200

SCHEMBL11022200

C#CCOc1ccc(-c2nc3cc(NC(=O)NCC)ccc3[nH]2)c(OCC)c1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 2/20 0.41
▸ PDE5A O76074 1/20 0.39
▸ MAPT P10636 6/20 0.38
▸ MEN1 O00255 3/20 0.38
▸ KMT2A Q03164 3/20 0.38
▸ POLB P06746 1/20 0.38
▸ LMNA P02545 4/20 0.38
▸ GAA P10253 1/20 0.38
▸ AGPAT2 O15120 1/20 0.37
▸ HPSE Q9Y251 2/20 0.37
▸ TP53 P04637 2/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ NPC1 O15118 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ ROCK2 O75116 1/20 0.36
▸ ROCK1 Q13464 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
SCHEMBL11022206 0.93 ABL1 (0.47) ABL1PDE5AMAPTMEN1KMT2A
SCHEMBL11022136 0.92 MAPT (0.39) MAPTMEN1KMT2APOLBLMNA
SCHEMBL11020909 0.84 PDE7A (0.41) MAPTMEN1KMT2APOLBLMNA
SCHEMBL11018034 0.82 RHEB (0.39) MAPTMEN1KMT2APOLBLMNA
SCHEMBL11018593 0.82 TP53 (0.46) MAPTPOLBLMNATP53SMN1; SMN2
SCHEMBL11018199 0.81 CHEK2 (0.51) —
SCHEMBL11017854 0.80 MAOB (0.43) PDE5AMAPTMEN1KMT2ALMNA
SCHEMBL11018823 0.78 TOP1 (0.40) PDE5AMAPTLMNATP53SMN1; SMN2
SCHEMBL11021215 0.78 AMY1A (0.45) MAPTMEN1KMT2ALMNAGAA
SCHEMBL10763812 0.77 ABL1 (0.43) ABL1MAPTHPSE

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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