SCHEMBL7479503

SCHEMBL7479503

O=C(O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1NCc1ccccc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.66
KMT2A Q03164 8/20 0.66
MEN1 O00255 7/20 0.66
GAA P10253 2/20 0.66
ALDH1A1 P00352 4/20 0.53
CYP1A2 P05177 3/20 0.51
CYP2C9 P11712 3/20 0.51
MAPK1 P28482 2/20 0.51
NPC1 O15118 1/20 0.51
TRPA1 O75762 1/20 0.51
LMNA P02545 1/20 0.51
TSHR P16473 1/20 0.51
CDK2 P24941 1/20 0.51
THPO P40225 1/20 0.51
BLM P54132 1/20 0.51
PMP22 Q01453 1/20 0.51
HSD17B10 Q99714 1/20 0.51
HDAC6 Q9UBN7 1/20 0.51
CYP2C19 P33261 3/20 0.48
CRHBP P24387 2/20 0.48

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
SCHEMBL1202996 0.84 MAPT (0.54) MAPTKMT2AMEN1GAAALDH1A1
SCHEMBL25201025 0.82 MAPT (0.61) MAPTKMT2AMEN1GAAALDH1A1
SCHEMBL4212246 0.80 MAPT (1.00) MAPTKMT2AMEN1GAAALDH1A1
SCHEMBL13533808 0.78 MAPT (0.57) MAPTKMT2AMEN1GAAALDH1A1
SCHEMBL9422834 0.77 MAPT (0.49) MAPTKMT2AMEN1GAAALDH1A1
SCHEMBL9239153 0.76 CDK2 (0.51) MAPTKMT2AMEN1GAAALDH1A1
SCHEMBL5255094 0.74 MEN1 (0.51) MAPTKMT2AMEN1GAAALDH1A1
SCHEMBL9395569 0.74 MAPT (0.72) MAPTKMT2AMEN1GAAALDH1A1
SCHEMBL10206786 0.74 MAPT (0.56) MAPTKMT2AMEN1GAAALDH1A1
SCHEMBL9422830 0.74 MAPT (0.63) MAPTKMT2AMEN1GAAALDH1A1

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 5 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
EP-0865281-A4 NAPHTHYL-SUBSTITUTED BENZIMIDAZOLE DERIVATIVES AS ANTICOAGULANTS BERLEX LAB (US) 1999-07-28 EP disclosed
US-5849759-A Naphthyl-substituted benzimidazole derivatives as anti-coagulants BERLEX LABORATORIES, INC. (US) 1998-12-15 US disclosed
EP-0865281-A1 NAPHTHYL-SUBSTITUTED BENZIMIDAZOLE DERIVATIVES AS ANTICOAGULANTS BERLEX LABORATORIES, INC. (US) 1998-09-23 EP disclosed
WO-1997021437-A1 NAPHTHYL-SUBSTITUTED BENZIMIDAZOLE DERIVATIVES AS ANTICOAGULANTS BERLEX LABORATORIES, INC. (DE) 1997-06-19 WO disclosed