SCHEMBL7484248

SCHEMBL7484248

Cc1nc2cc(OC3CCN(C(=O)OC(C)(C)C)CC3)c([N+](=O)[O-])cc2[nH]1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHEK2 O96017 1/20 0.46
GPR119 Q8TDV5 9/20 0.44
KCNH2 Q12809 1/20 0.43
PDE4D Q08499 3/20 0.42
PDE4B Q07343 3/20 0.42
PDE4A P27815 2/20 0.42
PDE4C Q08493 2/20 0.42
TOP2A P11388 1/20 0.42
KDM1A O60341 1/20 0.40
MAPT P10636 2/20 0.39
KDM4E B2RXH2 1/20 0.39
THRB P10828 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39

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
SCHEMBL7484242 0.96 CHEK2 (0.46) CHEK2GPR119KCNH2PDE4DPDE4B
SCHEMBL7478925 0.89 CHEK2 (0.44) CHEK2GPR119KCNH2PDE4DPDE4B
SCHEMBL7484145 0.86 CHEK2 (0.49) CHEK2GPR119PDE4DPDE4BPDE4A
SCHEMBL7478915 0.85 CHEK2 (0.44) CHEK2GPR119KCNH2PDE4DPDE4B
SCHEMBL7484137 0.84 CHEK2 (0.49) CHEK2GPR119PDE4DPDE4BPDE4A
SCHEMBL7475671 0.83 CHEK2 (0.48) CHEK2GPR119PDE4DPDE4BPDE4A
SCHEMBL7484260 0.82 CHEK2 (0.45) CHEK2GPR119PDE4DPDE4BPDE4A
SCHEMBL7483184 0.82 CHEK2 (0.45) CHEK2GPR119KCNH2PDE4DPDE4B
SCHEMBL7484268 0.82 CHEK2 (0.45) CHEK2GPR119PDE4DPDE4BPDE4A
SCHEMBL7475661 0.81 CHEK2 (0.48) CHEK2GPR119PDE4DPDE4BPDE4A

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