SCHEMBL7478041

SCHEMBL7478041

CC(C)c1nc2c([N+](=O)[O-])c(OC3CCN(C(=O)OC(C)(C)C)CC3)ccc2[nH]1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.47
GPR119 Q8TDV5 7/20 0.44
PDE4D Q08499 3/20 0.42
PDE4B Q07343 3/20 0.42
PDE4A P27815 2/20 0.42
PDE4C Q08493 2/20 0.42
PARP1 P09874 1/20 0.42
F10 P00742 1/20 0.41
PRSS1 P07477 1/20 0.41
CHEK2 O96017 1/20 0.41
TOP2A P11388 1/20 0.40
CCNT1 O60563 1/20 0.40
CDK9 P50750 1/20 0.40
KDM1A O60341 1/20 0.40
NPC1 O15118 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
MAPK1 P28482 1/20 0.40
HTT P42858 1/20 0.40
RAB9A P51151 1/20 0.40

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
SCHEMBL7483176 0.89 KCNH2 (0.50) KCNH2GPR119PDE4DPDE4BPDE4A
SCHEMBL7478047 0.88 CHEK2 (0.43) KCNH2GPR119PDE4DPDE4BPDE4A
SCHEMBL7478925 0.81 CHEK2 (0.44) KCNH2GPR119PDE4DPDE4BPDE4A
SCHEMBL7478915 0.81 CHEK2 (0.44) KCNH2GPR119PDE4DPDE4BPDE4A
SCHEMBL7483184 0.80 CHEK2 (0.45) KCNH2GPR119PDE4DPDE4BPDE4A
SCHEMBL2501011 0.76 PDE4B (0.46) GPR119PDE4DPDE4BPDE4APDE4C
SCHEMBL5970629 0.75 ALDH1A1 (0.51) GPR119PDE4DPDE4BPDE4APDE4C
SCHEMBL20567634 0.75 KDM1A (0.52) GPR119PDE4DPDE4BPDE4APDE4C
SCHEMBL4465377 0.74 ALDH1A1 (0.54) GPR119PDE4DPDE4BPDE4APDE4C
SCHEMBL70414 0.72 KDM1A (0.53) GPR119PDE4DPDE4BPDE4APDE4C

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