SCHEMBL7471291

SCHEMBL7471291

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSB P07858 3/20 0.38
CTSH P09668 1/20 0.38
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
POLB P06746 2/20 0.36
USP2 O75604 1/20 0.36
LMNA P02545 3/20 0.35
MAPT P10636 3/20 0.35
HTT P42858 2/20 0.35
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
BRD4 O60885 1/20 0.35
HSP90AA1 P07900 1/20 0.35
CHRM1 P11229 1/20 0.35
DRD2 P14416 1/20 0.35
ALOX12 P18054 1/20 0.35
ADRA2B P18089 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
SCHEMBL7475368 0.83 MEN1 (0.49) MEN1KMT2APOLBLMNAMAPT
SCHEMBL7477477 0.82 ADRB2 (0.50) CTSBCTSHMEN1KMT2APOLB
SCHEMBL7471308 0.77 MEN1 (0.39) CTSBCTSHMEN1KMT2APOLB
SCHEMBL4812782 0.75 PIN1 (0.37) CTSBMEN1KMT2APOLBLMNA
SCHEMBL6543963 0.74 PKN1 (0.55) MEN1KMT2ALMNAMAPTKDM4E
SCHEMBL13542759 0.73 GRIN2D (0.47) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL7476702 0.71 LMNA (0.48) MEN1KMT2APOLBUSP2LMNA
SCHEMBL271676 0.71 MEN1 (0.57) MEN1KMT2APOLBUSP2LMNA
SCHEMBL11864732 0.69 KCNH2 (0.38) LMNAKDM4EKCNH2PARP1HSD17B10
SCHEMBL7476693 0.69 LMNA (0.48) MEN1KMT2APOLBUSP2LMNA

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1110305-C Naphthyl-substituted benzimidazole derivatives as anticoagulants BERLEX LAB (US) 2003-06-04 CN disclosed
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
CN-1209062-A Naphthyl-substituted benzimidazole derivatives as anticoagulants BERLEX LAB (US) 1999-02-24 CN 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