SCHEMBL7488290

SCHEMBL7488290

COC(=O)c1cc2c(cc1OC1CCN(C(=O)OC(C)(C)C)CC1)nc(C)n2Cc1ccc(C#N)c2ccccc12

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TBK1 Q9UHD2 6/20 0.40
NSD2 O96028 3/20 0.40
IKBKE Q14164 1/20 0.40
PDE4B Q07343 3/20 0.39
PDE4A P27815 2/20 0.39
PDE4C Q08493 2/20 0.39
PDE4D Q08499 2/20 0.39
GPR119 Q8TDV5 3/20 0.38
EHMT2 Q96KQ7 1/20 0.37
BRD4 O60885 1/20 0.37
EED O75530 1/20 0.36
RBBP4 Q09028 1/20 0.36
SUZ12 Q15022 1/20 0.36
EZH2 Q15910 1/20 0.36
AEBP2 Q6ZN18 1/20 0.36
CETP P11597 1/20 0.36
EGFR P00533 1/20 0.35
ERBB2 P04626 1/20 0.35
EPHX2 P34913 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
SCHEMBL7484168 0.97 TBK1 (0.40) TBK1NSD2IKBKEPDE4BPDE4A
SCHEMBL7483999 0.90 NSD2 (0.41) TBK1NSD2IKBKEPDE4BPDE4A
SCHEMBL7483915 0.89 NSD2 (0.42) TBK1NSD2IKBKEPDE4BPDE4A
SCHEMBL7478116 0.89 NSD2 (0.41) TBK1NSD2IKBKEPDE4BPDE4A
SCHEMBL7477494 0.88 TBK1 (0.42) TBK1NSD2IKBKEPDE4BPDE4A
SCHEMBL7483596 0.88 TBK1 (0.40) TBK1NSD2IKBKEPDE4BPDE4A
SCHEMBL7475851 0.88 TBK1 (0.40) TBK1NSD2IKBKEPDE4BPDE4A
SCHEMBL7481361 0.87 TBK1 (0.41) TBK1NSD2IKBKEPDE4BPDE4A
SCHEMBL7484173 0.87 TBK1 (0.41) TBK1NSD2IKBKEPDE4BPDE4A
SCHEMBL7475002 0.87 TBK1 (0.39) TBK1NSD2IKBKEPDE4BPDE4A

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