SCHEMBL7471308

SCHEMBL7471308

CC(C)c1nc2ccc(O)c([N+](=O)[O-])c2[nH]1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.39
KMT2A Q03164 6/20 0.39
POLB P06746 2/20 0.39
USP2 O75604 1/20 0.39
MCL1 Q07820 1/20 0.35
GPR35 Q9HC97 1/20 0.35
KDM4E B2RXH2 2/20 0.35
LMNA P02545 1/20 0.35
HSD17B10 Q99714 1/20 0.35
CTSB P07858 1/20 0.35
CTSH P09668 1/20 0.35
ESR1 P03372 1/20 0.34
ESR2 Q92731 1/20 0.34
ALPL P05186 1/20 0.34
ALPI P09923 1/20 0.34
GFER P55789 1/20 0.34
CTDSP1 Q9GZU7 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
MAPT P10636 1/20 0.34

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
SCHEMBL7477486 0.82 ALDH1A1 (0.40) MEN1KMT2APOLBMCL1GPR35
SCHEMBL7475376 0.82 MEN1 (0.48) MEN1KMT2APOLBUSP2KDM4E
SCHEMBL7471291 0.77 CTSB (0.38) MEN1KMT2APOLBUSP2MCL1
SCHEMBL4810132 0.75 PIN1 (0.40) MEN1KMT2APOLBGPR35KDM4E
SCHEMBL15042816 0.74 KDM4E (0.50) USP2KDM4ELMNAHSD17B10HPGD
SCHEMBL13542755 0.74 TDP1 (0.45) MEN1KMT2APOLBKDM4ELMNA
SCHEMBL11860756 0.69 GRIN2D (0.34) MEN1KMT2APOLBUSP2KDM4E
SCHEMBL12629223 0.69 LMNA (0.40) MEN1KMT2AUSP2KDM4ELMNA
SCHEMBL23682691 0.69 KDM4E (0.37) MEN1KMT2AKDM4ELMNAHSD17B10
SCHEMBL7476693 0.69 LMNA (0.48) MEN1KMT2APOLBUSP2MCL1

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