SCHEMBL3384697

SCHEMBL3384697

COc1ccc([N+](=O)[O-])c(NC(C)N)c1.Cc1cccc(NC(C)O)c1[N+](=O)[O-]

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.47
LMNA P02545 1/20 0.47
AKR1C3 P42330 3/20 0.45
AKR1C2 P52895 3/20 0.45
AKR1B10 O60218 2/20 0.45
AKR1B1 P15121 2/20 0.45
AKR1C4 P17516 2/20 0.45
AKR1C1 Q04828 2/20 0.45
RAB9A P51151 4/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
HPGD P15428 1/20 0.39
KAT2B Q92831 1/20 0.39
MAPT P10636 3/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
TSHR P16473 1/20 0.38
NPC1 O15118 2/20 0.38
MAPK1 P28482 1/20 0.38
BMP1 P13497 2/20 0.37

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
SCHEMBL124038 0.82 AKR1C3 (0.51) ALDH1A1LMNAAKR1C3AKR1C2AKR1B10
SCHEMBL125385 0.79 ALDH1A1 (0.56) ALDH1A1LMNARAB9ASMN1; SMN2HPGD
SCHEMBL3384699 0.73 KAT2B (0.56) ALDH1A1LMNAAKR1C3AKR1C2AKR1B10
SCHEMBL3322365 0.73 MAPT (0.56) ALDH1A1LMNAAKR1C3AKR1C2AKR1B10
SCHEMBL9742270 0.72 MAPT (0.56) ALDH1A1LMNAAKR1C3AKR1C2AKR1B10
SCHEMBL2323586 0.71 AKR1C3 (0.69) ALDH1A1LMNAAKR1C3AKR1C2AKR1B10
SCHEMBL24455476 0.68 ALDH1A1 (0.60) ALDH1A1LMNASMN1; SMN2HPGDKAT2B
SCHEMBL21315653 0.67 SMN1; SMN2 (0.51) ALDH1A1LMNAAKR1C3AKR1C2AKR1B10
SCHEMBL29961863 0.67 SMN1; SMN2 (0.51) ALDH1A1LMNAAKR1C3AKR1C2AKR1B10
SCHEMBL11049649 0.67 MAPT (0.59) ALDH1A1LMNAAKR1C3AKR1C2AKR1B10

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