SCHEMBL6217835

SCHEMBL6217835

Cc1cccn2c(C(=O)C[n+]3ccn(C)c3)c(-c3cccc([N+](=O)[O-])c3)cc12

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 2/20 0.37
AKR1C2 P52895 2/20 0.37
MAPT P10636 6/20 0.37
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
ALDH1A1 P00352 7/20 0.36
PKM P14618 1/20 0.36
GAA P10253 2/20 0.35
RXFP1 Q9HBX9 1/20 0.35
RAB9A P51151 2/20 0.35
MAPK1 P28482 1/20 0.35
PGR P06401 1/20 0.34
LMNA P02545 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HPGD P15428 1/20 0.33

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
Hydrochloric Acid SCHEMBL6212398 0.99 AKR1C3 (0.37) AKR1C3AKR1C2MAPTMEN1KMT2A
SCHEMBL6217020 0.83 CYP2C19 (0.42) AKR1C3AKR1C2MAPTMEN1KMT2A
Hydrochloric Acid SCHEMBL6217243 0.82 CYP2C19 (0.44) AKR1C3AKR1C2MAPTMEN1KMT2A
SCHEMBL6218459 0.81 ALDH1A1 (0.42) MAPTMEN1KMT2AALDH1A1GAA
Hydrochloric Acid SCHEMBL6215812 0.81 ALDH1A1 (0.42) MAPTMEN1KMT2AALDH1A1GAA
Hydrochloric Acid SCHEMBL6218147 0.79 LMNA (0.37) ALDH1A1GAARXFP1RAB9ALMNA
SCHEMBL6216347 0.74 KDM4E (0.43) MAPTMEN1KMT2AALDH1A1LMNA
SCHEMBL6212224 0.72 MAPT (0.47) MAPTMEN1KMT2AALDH1A1GAA
Hydrochloric Acid SCHEMBL6212921 0.72 MAPT (0.47) MAPTMEN1KMT2AALDH1A1GAA
SCHEMBL7847368 0.71 SLC6A4 (0.38) AKR1C3AKR1C2MAPTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1129690-B1 Keratin fibre dye compositions containing indolizine cationic derivatives and dyeing method OREAL (FR) 2005-01-05 EP claimed
EP-1129690-A2 Keratin fibre dye compositions containing indolizine cationic derivatives and dyeing method L'OREAL (FR) 2001-09-05 EP claimed
EP-1129690-B1 Keratin fibre dye compositions containing indolizine cationic derivatives and dyeing method OREAL (FR) 2005-01-05 EP disclosed
EP-1129690-A2 Keratin fibre dye compositions containing indolizine cationic derivatives and dyeing method L'OREAL (FR) 2001-09-05 EP disclosed