SCHEMBL14174530

SCHEMBL14174530

CNc1ccc(N(C)CC(C)CO)cc1[N+](=O)[O-]

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.46
NPSR1 Q6W5P4 2/20 0.46
HCAR3 P49019 6/20 0.46
HTT P42858 1/20 0.44
ALDH1A1 P00352 4/20 0.43
TDP1 Q9NUW8 3/20 0.43
TSHR P16473 1/20 0.43
CDC25B P30305 1/20 0.40
MAPK1 P28482 2/20 0.37
RECQL P46063 1/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
PKM P14618 1/20 0.37
LMNA P02545 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
KDM4E B2RXH2 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL109327 0.88 MAPT (0.46) MAPTNPSR1HCAR3HTTALDH1A1
SCHEMBL17693662 0.86 MAPT (0.49) MAPTNPSR1HCAR3HTTALDH1A1
SCHEMBL109662 0.82 ALDH1A1 (0.56) MAPTNPSR1HCAR3HTTALDH1A1
SCHEMBL30723003 0.82 ALDH1A1 (0.56) MAPTNPSR1HCAR3HTTALDH1A1
SCHEMBL6151491 0.79 MAPT (0.47) MAPTNPSR1HCAR3HTTALDH1A1
Ethane SCHEMBL5417384 0.76 HCAR3 (0.55) MAPTNPSR1HCAR3HTTALDH1A1
Hc Blue No. 1 SCHEMBL2467623 0.75 ALDH1A1 (0.73) MAPTNPSR1HCAR3HTTALDH1A1
Hc Blue No. 1 SCHEMBL29683680 0.75 ALDH1A1 (0.73) MAPTNPSR1HCAR3HTTALDH1A1
SCHEMBL20509042 0.72 ALDH1A1 (0.48) MAPTNPSR1HCAR3HTTALDH1A1
SCHEMBL2520028 0.71 HTT (0.58) MAPTHCAR3HTTALDH1A1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7381423-B2 Use of nanodispersions in cosmetic end formulations CIBA SPECIALTY CHEMICALS CORP. (US) 2008-06-03 US disclosed