SCHEMBL7900012

SCHEMBL7900012

NCC(N)c1ccc([N+](=O)[O-])c(N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 11/20 0.50
ALDH1A1 P00352 7/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2C19 P33261 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
LMNA P02545 3/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
SMN1; SMN2 Q16637 4/20 0.46
NPSR1 Q6W5P4 1/20 0.46
GAA P10253 2/20 0.46
POLB P06746 1/20 0.46
SIRT6 Q8N6T7 1/20 0.46
HPGD P15428 1/20 0.46
IGF1R P08069 1/20 0.45
CYP2C9 P11712 1/20 0.44
MAPK1 P28482 2/20 0.43
TDP1 Q9NUW8 1/20 0.43

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
SCHEMBL7900009 0.84 HTT (0.49) MAPTALDH1A1CYP1A2CYP2C19L3MBTL1
SCHEMBL7899993 0.77 MAPT (0.56) MAPTALDH1A1CYP1A2CYP2C19L3MBTL1
SCHEMBL7520363 0.73 GAA (0.63) MAPTALDH1A1CYP1A2CYP2C19L3MBTL1
SCHEMBL18833848 0.73 LOXL2 (0.53) MAPTALDH1A1CYP1A2L3MBTL1MAPK1
SCHEMBL942066 0.73 LOXL2 (0.53) MAPTALDH1A1CYP1A2L3MBTL1MAPK1
Hydrochloric Acid SCHEMBL11740245 0.72 LOXL2 (0.52) MAPTALDH1A1CYP1A2L3MBTL1MAPK1
Hydrochloric Acid SCHEMBL1820970 0.72 LOXL2 (0.52) MAPTALDH1A1CYP1A2L3MBTL1MAPK1
SCHEMBL15271381 0.71 SIRT6 (0.81) MAPTALDH1A1LMNAMEN1KMT2A
SCHEMBL6151230 0.71 SIRT6 (0.81) MAPTALDH1A1LMNAMEN1KMT2A
SCHEMBL29028271 0.68 POLB (0.69) MAPTALDH1A1LMNAMEN1KMT2A

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-6194399-B1 E.G., N1-(2-AMINOETHYL)-4-NITRO-N3-(2-PHENOXYETHYL)-1,3-BENZENEDIAMINE AND N-(4-NITRO-N3-(4-(NITROPHENYL)-1-PIPERA-ZINYL)PHENYL)-1,2-ETHANEDIAMINE; BACTERICIDES; DRUG-RESISTANT -LOW RESISTANCE DEVELOPMENT; LOW HALF LIFE; BROAD SPECTRUM SCRIPTGEN PHARMACEUTICALS, INC. 2001-02-27 US claimed
US-6194399-B1 E.G., N1-(2-AMINOETHYL)-4-NITRO-N3-(2-PHENOXYETHYL)-1,3-BENZENEDIAMINE AND N-(4-NITRO-N3-(4-(NITROPHENYL)-1-PIPERA-ZINYL)PHENYL)-1,2-ETHANEDIAMINE; BACTERICIDES; DRUG-RESISTANT -LOW RESISTANCE DEVELOPMENT; LOW HALF LIFE; BROAD SPECTRUM SCRIPTGEN PHARMACEUTICALS, INC. 2001-02-27 US disclosed
WO-2000021539-A1 ARYLDIAMINE DERIVATIVES USEFUL AS ANTIBACTERIAL AGENTS ANADYS PHARMACEUTICALS, INC. (US) 2000-04-20 WO disclosed