SCHEMBL3384699

SCHEMBL3384699

COc1ccc([N+](=O)[O-])c(NCCN)c1.Cc1cccc(NCCO)c1[N+](=O)[O-]

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KAT2B Q92831 4/20 0.56
MAPT P10636 6/20 0.46
LMNA P02545 4/20 0.46
SMN1; SMN2 Q16637 4/20 0.46
TDP1 Q9NUW8 2/20 0.46
ALDH1A1 P00352 1/20 0.46
ALPG P10696 1/20 0.46
AKR1B10 O60218 1/20 0.44
AKR1B1 P15121 1/20 0.44
AKR1C4 P17516 1/20 0.44
AKR1C3 P42330 1/20 0.44
AKR1C2 P52895 1/20 0.44
AKR1C1 Q04828 1/20 0.44
RAB9A P51151 2/20 0.43
KMT2A Q03164 2/20 0.43
NPC1 O15118 1/20 0.43
GAA P10253 1/20 0.43
HTT P42858 1/20 0.42
HPGD P15428 1/20 0.41
HTR6 P50406 1/20 0.41

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
SCHEMBL111539 0.83 KAT2B (0.59) KAT2BMAPTLMNASMN1; SMN2TDP1
SCHEMBL29392855 0.83 KAT2B (0.59) KAT2BMAPTLMNASMN1; SMN2TDP1
SCHEMBL10580319 0.83 MAPT (0.58) KAT2BMAPTLMNASMN1; SMN2TDP1
Hydrochloric Acid SCHEMBL141377 0.82 KAT2B (0.61) KAT2BMAPTLMNASMN1; SMN2TDP1
SCHEMBL29393615 0.79 KAT2B (0.68) KAT2BMAPTTDP1ALDH1A1RAB9A
SCHEMBL125386 0.79 KAT2B (0.68) KAT2BMAPTTDP1ALDH1A1RAB9A
SCHEMBL16407600 0.75 MAPT (0.55) KAT2BMAPTLMNASMN1; SMN2TDP1
SCHEMBL4861914 0.74 KAT2B (0.72) KAT2BMAPTSMN1; SMN2TDP1ALDH1A1
SCHEMBL2472520 0.74 MAPT (0.51) KAT2BMAPTLMNASMN1; SMN2TDP1
SCHEMBL29901082 0.73 KAT2B (0.71) KAT2BMAPTLMNATDP1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2205680-A2 DICHROMOPHORE CARBONYL OR HETEROCYCLIC DYE, DYE COMPOSITION COMPRISING THIS DYE, PROCESS FOR DYEING KERATIN MATERIALS USING THIS DYE L'Oreal (FR) 2010-07-14 EP disclosed
WO-2009040355-A2 DICHROMOPHORE CARBONYL OR HETEROCYCLIC DYE, DYE COMPOSITION COMPRISING THIS DYE, PROCESS FOR DYEING KERATIN MATERIALS USING THIS DYE L'OREAL (FR) 2009-04-02 WO disclosed