SCHEMBL2126038

SCHEMBL2126038

Cc1cc(N2CCC(n3cc[n+](C)c3)C2)ccc1[N+](=O)[O-]

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.50
MAPT P10636 13/20 0.38
MAPK1 P28482 1/20 0.38
ALDH1A1 P00352 7/20 0.37
CYP1A2 P05177 4/20 0.36
CYP2C19 P33261 4/20 0.36
CYP2C9 P11712 3/20 0.36
HTT P42858 1/20 0.36
RAB9A P51151 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
SIRT6 Q8N6T7 3/20 0.36
LMNA P02545 2/20 0.36
KMT2A Q03164 1/20 0.36
GAA P10253 1/20 0.35
CYP3A4 P08684 1/20 0.34

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 SCHEMBL6328932 0.99 HPGD (0.49) HPGDMAPTMAPK1ALDH1A1CYP1A2
SCHEMBL6321576 0.95 HPGD (0.46) HPGDMAPTMAPK1ALDH1A1CYP1A2
SCHEMBL2128163 0.83 MEN1 (0.45) MAPTMAPK1ALDH1A1CYP2C19CYP2C9
Hydrochloric Acid SCHEMBL6323525 0.82 MEN1 (0.44) MAPTMAPK1ALDH1A1CYP2C19CYP2C9
SCHEMBL2127393 0.81 RAD52 (0.41) MAPTMAPK1HTTGAACYP3A4
Hydrochloric Acid SCHEMBL2540311 0.80 RAD52 (0.40) MAPTGAACYP3A4
Hydrochloric Acid SCHEMBL6328982 0.79 RAD52 (0.40) MAPTGAACYP3A4
SCHEMBL6331162 0.79 MEN1 (0.44) MAPTMAPK1ALDH1A1SIRT6LMNA
SCHEMBL6158539 0.79 MEN1 (0.44) MAPTMAPK1ALDH1A1SIRT6LMNA
SCHEMBL27913615 0.78 HPGD (0.65) HPGDMAPTMAPK1ALDH1A1CYP1A2

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-1348695-B1 Derivatives of paraphenylene diamine with pyrrolidine groups substituted by cationic radicals and their use for dyeing keratinic fibre OREAL (FR) 2012-04-25 EP disclosed
EP-1348695-A1 Derivatives of paraphenylene diamine with pyrrolidine groups substituted by cationic radicals and their use for dyeing keratinic fibre L'OREAL (FR) 2003-10-01 EP disclosed