SCHEMBL2128163

SCHEMBL2128163

C[n+]1ccn(C2CCN(c3ccc([N+](=O)[O-])cc3)C2)c1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
MAPT P10636 8/20 0.44
SIRT6 Q8N6T7 2/20 0.44
ALDH1A1 P00352 4/20 0.42
MAPK1 P28482 1/20 0.42
POLB P06746 2/20 0.41
ADRB1 P08588 1/20 0.41
LMNA P02545 1/20 0.40
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39

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 SCHEMBL6323525 0.99 MEN1 (0.44) MEN1KMT2AMAPTSIRT6ALDH1A1
SCHEMBL6331162 0.94 MEN1 (0.44) MEN1KMT2AMAPTSIRT6ALDH1A1
SCHEMBL6158539 0.94 MEN1 (0.44) MEN1KMT2AMAPTSIRT6ALDH1A1
SCHEMBL2126038 0.83 HPGD (0.50) KMT2AMAPTSIRT6ALDH1A1MAPK1
Hydrochloric Acid SCHEMBL6328932 0.82 HPGD (0.49) KMT2AMAPTSIRT6ALDH1A1MAPK1
SCHEMBL2126499 0.81 MAPT (0.37) MEN1KMT2AMAPTALDH1A1MAPK1
Hydrochloric Acid SCHEMBL2537577 0.80 MAPT (0.36) MEN1KMT2AMAPTALDH1A1MAPK1
Hydrochloric Acid SCHEMBL6331452 0.80 MAPT (0.36) MEN1KMT2AMAPTALDH1A1MAPK1
Hydrochloric Acid SCHEMBL6159442 0.80 MAPT (0.37) MEN1KMT2AMAPTALDH1A1MAPK1
SCHEMBL6321576 0.79 HPGD (0.46) KMT2AMAPTSIRT6ALDH1A1MAPK1

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