SCHEMBL6255487

SCHEMBL6255487

O=C(O)c1cc([N+](=O)[O-])ccc1N1CCCCCCC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 1.00
SMN1; SMN2 Q16637 5/20 1.00
MEN1 O00255 2/20 0.75
KMT2A Q03164 2/20 0.75
HPGD P15428 1/20 0.75
LMNA P02545 5/20 0.71
MAPT P10636 4/20 0.71
HTT P42858 3/20 0.71
POLB P06746 1/20 0.71
PAX8 Q06710 3/20 0.67
CYP1A2 P05177 1/20 0.67
CYP3A4 P08684 1/20 0.67
CYP2C9 P11712 1/20 0.67
CYP2C19 P33261 1/20 0.67
GAA P10253 1/20 0.64
RECQL P46063 1/20 0.64
RAB9A P51151 1/20 0.64
NPC1 O15118 1/20 0.61
L3MBTL1 Q9Y468 1/20 0.60

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
SCHEMBL29805486 1.00 ALDH1A1 (1.00) ALDH1A1SMN1; SMN2MEN1KMT2AHPGD
SCHEMBL3040101 1.00 ALDH1A1 (1.00) ALDH1A1SMN1; SMN2MEN1KMT2AHPGD
SCHEMBL10502203 0.98 ALDH1A1 (0.97) ALDH1A1SMN1; SMN2MEN1KMT2AHPGD
SCHEMBL23982204 0.88 ALDH1A1 (0.79) ALDH1A1SMN1; SMN2MEN1KMT2AHPGD
SCHEMBL27455146 0.88 ALDH1A1 (0.79) ALDH1A1SMN1; SMN2MEN1KMT2AHPGD
Hydrochloric Acid SCHEMBL25212044 0.87 ALDH1A1 (0.77) ALDH1A1SMN1; SMN2MEN1KMT2AHPGD
SCHEMBL18113433 0.87 ALDH1A1 (0.76) ALDH1A1SMN1; SMN2MEN1KMT2AHPGD
SCHEMBL11102710 0.86 ALDH1A1 (0.75) ALDH1A1SMN1; SMN2MEN1KMT2AHPGD
SCHEMBL10847501 0.86 ALDH1A1 (0.75) ALDH1A1SMN1; SMN2MEN1KMT2AHPGD
SCHEMBL1811947 0.86 SMN1; SMN2 (0.76) ALDH1A1SMN1; SMN2MEN1KMT2ALMNA

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