SCHEMBL15618528

SCHEMBL15618528

CC(C)C[C@@H](CSc1nnc[nH]1)NC(=O)OC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AAK1 Q2M2I8 6/20 0.41
▸ HTT P42858 1/20 0.41
▸ NPSR1 Q6W5P4 5/20 0.40
▸ MEN1 O00255 3/20 0.40
▸ KMT2A Q03164 3/20 0.40
▸ TSHR P16473 2/20 0.40
▸ TP53 P04637 1/20 0.39
▸ POLB P06746 3/20 0.39
▸ TDP1 Q9NUW8 3/20 0.39
▸ MAPT P10636 3/20 0.39
▸ ATM Q13315 1/20 0.38
▸ ALDH1A1 P00352 2/20 0.37
▸ XBP1 P17861 2/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ CA1 P00915 1/20 0.36
▸ CA2 P00918 1/20 0.36
▸ CA7 P43166 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
SCHEMBL29637197 0.80 AAK1 (0.43) AAK1HTTNPSR1MEN1KMT2A
SCHEMBL15618671 0.76 AAK1 (0.41) AAK1HTTNPSR1MEN1KMT2A
SCHEMBL19227630 0.72 CA1 (0.58) AAK1MEN1KMT2AATMGAA
SCHEMBL15618527 0.71 CA1 (0.43) AAK1HTTNPSR1MEN1KMT2A
SCHEMBL15618538 0.71 CA1 (0.46) AAK1HTTTSHRTP53CA1
SCHEMBL27992411 0.71 CA1 (0.46) AAK1HTTTSHRTP53CA1
SCHEMBL15618536 0.71 CA1 (0.46) AAK1HTTTSHRTP53CA1
SCHEMBL15618673 0.70 CA1 (0.41) AAK1HTTNPSR1MEN1KMT2A
SCHEMBL8560322 0.68 CA1 (0.53) AAK1ATMCA1CA2CA7
SCHEMBL5262474 0.68 CA1 (0.53) AAK1CA1CA2CA7

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2897939-B1 BENZOIMIDAZOLE-CARBOXYLIC ACID AMIDE DERIVATIVES FOR TREATING METABOLIC OR CARDIOVASCULAR DISEASES SANOFI SA (FR) 2017-02-01 — — EP disclosed
EP-2897939-B1 BENZOIMIDAZOLE-CARBOXYLIC ACID AMIDE DERIVATIVES FOR TREATING METABOLIC OR CARDIOVASCULAR DISEASES SANOFI SA (FR) 2017-02-01 — — EP disclosed
US-9156796-B2 Benzoimidazole-carboxylic acid amide derivatives as APJ receptor modulators SANOFI (FR) 2015-10-13 — — US disclosed
US-9156796-B2 Benzoimidazole-carboxylic acid amide derivatives as APJ receptor modulators SANOFI (FR) 2015-10-13 — — US disclosed
US-9156796-B2 Benzoimidazole-carboxylic acid amide derivatives as APJ receptor modulators SANOFI (FR) 2015-10-13 — — US disclosed
EP-2897939-A1 BENZOIMIDAZOLE-CARBOXYLIC ACID AMIDE DERIVATIVES AS APJ RECEPTOR MODULATORS SANOFI (FR) 2015-07-29 — — EP disclosed
WO-2014044738-A1 BENZOIMIDAZOLE-CARBOXYLIC ACID AMIDE DERIVATIVES AS APJ RECEPTOR MODULATORS SANOFI (FR) 2014-03-27 — — WO disclosed
WO-2014044738-A1 BENZOIMIDAZOLE-CARBOXYLIC ACID AMIDE DERIVATIVES AS APJ RECEPTOR MODULATORS SANOFI (FR) 2014-03-27 — — WO disclosed
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