SCHEMBL8601406

SCHEMBL8601406

Nc1ccc(-c2ccc(N)c([N+](=O)[O-])c2)cc1N

nearest known ligand 0.88

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.88
TDP1 Q9NUW8 5/20 0.88
MEN1 O00255 5/20 0.88
KMT2A Q03164 5/20 0.88
POLB P06746 3/20 0.88
ALDH1A1 P00352 2/20 0.62
CYP3A4 P08684 1/20 0.62
ALOX15 P16050 1/20 0.62
TSHR P16473 2/20 0.58
NPSR1 Q6W5P4 1/20 0.55
LMNA P02545 1/20 0.53
PKM P14618 1/20 0.53
GALR3 O60755 1/20 0.50
THRB P10828 1/20 0.50
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
GPR35 Q9HC97 1/20 0.43
FFAR4 Q5NUL3 1/20 0.43
MCL1 Q07820 1/20 0.42

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
SCHEMBL29409289 0.94 MAPT (1.00) MAPTTDP1MEN1KMT2APOLB
SCHEMBL737722 0.94 MAPT (1.00) MAPTTDP1MEN1KMT2APOLB
Hydrochloric Acid SCHEMBL3973011 0.90 MAPT (0.92) MAPTTDP1MEN1KMT2APOLB
Hydrochloric Acid SCHEMBL3973012 0.90 MAPT (0.92) MAPTTDP1MEN1KMT2APOLB
SCHEMBL9649469 0.86 TDP1 (0.85) MAPTTDP1MEN1KMT2APOLB
SCHEMBL3178960 0.86 MAPT (0.85) MAPTTDP1MEN1KMT2APOLB
SCHEMBL30581227 0.86 MAPT (0.85) MAPTTDP1MEN1KMT2APOLB
SCHEMBL10714493 0.86 TDP1 (0.85) MAPTTDP1MEN1KMT2APOLB
SCHEMBL653911 0.85 TDP1 (0.81) MAPTTDP1MEN1KMT2APOLB
SCHEMBL30255693 0.85 TDP1 (0.81) MAPTTDP1MEN1KMT2APOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5824698-A STAPHYLOCOCCUS, ENTEROCOCCUS OR HELIOBACTER HOFFMAN-LA ROCHE INC. (US) 1998-10-20 US disclosed
EP-0793654-A1 ANTIBACTERIAL DIBENZIMIDAZOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 1997-09-10 EP disclosed
WO-1996016042-A1 ANTIBACTERIAL DIBENZIMIDAZOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 1996-05-30 WO disclosed