SCHEMBL7475368

SCHEMBL7475368

COc1ccc2[nH]c(C(C)C)nc2c1[N+](=O)[O-]

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
KDM4E B2RXH2 4/20 0.40
TDP1 Q9NUW8 4/20 0.40
POLB P06746 1/20 0.40
CTDSP1 Q9GZU7 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MAPT P10636 2/20 0.40
BLM P54132 1/20 0.40
PDE4A P27815 2/20 0.38
PDE4B Q07343 2/20 0.38
PDE4C Q08493 2/20 0.38
PDE4D Q08499 2/20 0.38
NQO2 P16083 2/20 0.37
MTNR1A P48039 2/20 0.37
MTNR1B P49286 2/20 0.37
LMNA P02545 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ALDH1A1 P00352 2/20 0.35
TNKS O95271 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
SCHEMBL7471291 0.83 CTSB (0.38) MEN1KMT2AKDM4ETDP1POLB
SCHEMBL7483015 0.82 MEN1 (0.54) MEN1KMT2AKDM4ETDP1POLB
SCHEMBL7475376 0.79 MEN1 (0.48) MEN1KMT2AKDM4ETDP1POLB
SCHEMBL19170937 0.74 HSD17B10 (0.51) MEN1KMT2AKDM4EMAPTNQO2
SCHEMBL6543963 0.74 PKN1 (0.55) MEN1KMT2AKDM4ETDP1MAPT
SCHEMBL13542759 0.73 GRIN2D (0.47)
SCHEMBL7478041 0.73 KCNH2 (0.47) L3MBTL1MAPTPDE4APDE4BPDE4C
SCHEMBL7473230 0.72 KDM4E (0.46) MEN1KMT2AKDM4ETDP1POLB
SCHEMBL7473228 0.72 KDM4E (0.46) MEN1KMT2AKDM4ETDP1POLB
SCHEMBL22761576 0.70 PDE4A (0.52) MEN1KMT2AKDM4EPOLBMAPT

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