SCHEMBL7488680

SCHEMBL7488680

CCOC(=O)COc1cc2nc(C)n(Cc3ccc(C#N)c4ccccc34)c2cc1OC1CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TBK1 Q9UHD2 6/20 0.40
NSD2 O96028 3/20 0.40
GPR119 Q8TDV5 6/20 0.38
PDE4D Q08499 3/20 0.37
PDE4A P27815 2/20 0.37
PDE4B Q07343 2/20 0.37
PDE4C Q08493 2/20 0.37
IKBKE Q14164 1/20 0.37
EHMT2 Q96KQ7 1/20 0.35
CACNB4 O00305 1/20 0.35
CACNA1A O00555 1/20 0.35
CACNA1G O43497 1/20 0.35
CACNG3 O60359 1/20 0.35
CACNA1F O60840 1/20 0.35
CACNA1H O95180 1/20 0.35
CACNB3 P54284 1/20 0.35
CACNA2D1 P54289 1/20 0.35
CACNG7 P62955 1/20 0.35
CACNA1B Q00975 1/20 0.35
CACNA1D Q01668 1/20 0.35

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
SCHEMBL7477562 0.92 NSD2 (0.40) TBK1NSD2GPR119PDE4DPDE4A
SCHEMBL7477494 0.89 TBK1 (0.42) TBK1NSD2GPR119PDE4DPDE4A
SCHEMBL7483915 0.88 NSD2 (0.42) TBK1NSD2GPR119PDE4DPDE4A
SCHEMBL7484170 0.88 NSD2 (0.40) TBK1NSD2GPR119PDE4BIKBKE
SCHEMBL7483999 0.88 NSD2 (0.41) TBK1NSD2GPR119PDE4DPDE4A
SCHEMBL7478116 0.88 NSD2 (0.41) TBK1NSD2GPR119PDE4DPDE4A
SCHEMBL7484173 0.87 TBK1 (0.41) TBK1NSD2GPR119PDE4DPDE4A
SCHEMBL7481361 0.87 TBK1 (0.41) TBK1NSD2GPR119PDE4DPDE4A
SCHEMBL7475851 0.86 TBK1 (0.40) TBK1NSD2GPR119PDE4DPDE4A
SCHEMBL7483596 0.86 TBK1 (0.40) TBK1NSD2GPR119PDE4DPDE4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0865281-B1 NAPHTHYL-SUBSTITUTED BENZIMIDAZOLE DERIVATIVES AS ANTICOAGULANTS BERLEX LAB (US) 2002-04-03 EP disclosed
US-5849759-A Naphthyl-substituted benzimidazole derivatives as anti-coagulants BERLEX LABORATORIES, INC. (US) 1998-12-15 US disclosed