SCHEMBL6257607

SCHEMBL6257607

O=Cc1cc([N+](=O)[O-])ccc1N1CCCCCCC1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 13/20 0.74
GAA P10253 1/20 0.66
SMN1; SMN2 Q16637 5/20 0.59
LMNA P02545 3/20 0.58
CYP1A2 P05177 3/20 0.57
CYP3A4 P08684 3/20 0.57
CYP2C9 P11712 3/20 0.57
CYP2C19 P33261 3/20 0.57
NPSR1 Q6W5P4 1/20 0.57
HPGD P15428 1/20 0.57
MEN1 O00255 1/20 0.57
KMT2A Q03164 1/20 0.57
MAPT P10636 4/20 0.55
ALDH1A3 P47895 1/20 0.55
CYP2D6 P10635 1/20 0.54
MCOLN3 Q8TDD5 1/20 0.54
ERN1 O75460 1/20 0.51
POLB P06746 1/20 0.51
HTT P42858 1/20 0.51
PAX8 Q06710 2/20 0.51

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
SCHEMBL16824845 1.00 ALDH1A1 (0.74) ALDH1A1GAASMN1; SMN2LMNACYP1A2
SCHEMBL28032257 0.98 ALDH1A1 (0.76) ALDH1A1GAASMN1; SMN2LMNACYP1A2
SCHEMBL1969786 0.85 ALDH1A1 (0.71) ALDH1A1GAASMN1; SMN2LMNACYP1A2
SCHEMBL16569921 0.85 ALDH1A1 (0.71) ALDH1A1GAALMNACYP1A2CYP3A4
SCHEMBL1475607 0.85 ALDH1A1 (1.00) ALDH1A1SMN1; SMN2LMNACYP1A2CYP3A4
SCHEMBL16824985 0.84 ALDH1A1 (0.69) ALDH1A1GAASMN1; SMN2LMNAKMT2A
SCHEMBL16824981 0.83 ALDH1A1 (0.67) ALDH1A1GAASMN1; SMN2LMNAKMT2A
SCHEMBL16824983 0.83 ALDH1A1 (0.67) ALDH1A1GAASMN1; SMN2LMNAHPGD
SCHEMBL16824862 0.82 ALDH1A1 (0.66) ALDH1A1GAASMN1; SMN2LMNAHPGD
SCHEMBL16824854 0.82 MAPT (0.67) ALDH1A1GAASMN1; SMN2LMNAHPGD

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
WO-2005068431-A1 COMPOSITION FOR DYEING KERATIN FIBRES, COMPRISING AT LEAST ONE PARA-PHENYLENEDIAMINE DERIVATIVE L'OREAL (FR) 2005-07-28 WO claimed
WO-2005068431-A1 COMPOSITION FOR DYEING KERATIN FIBRES, COMPRISING AT LEAST ONE PARA-PHENYLENEDIAMINE DERIVATIVE L'OREAL (FR) 2005-07-28 WO disclosed