SCHEMBL7721092

SCHEMBL7721092

O=[N+]([O-])c1cc(OCc2ccccc2)ccc1NCCO

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 3/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
TSHR P16473 2/20 0.51
TDP1 Q9NUW8 2/20 0.51
ALDH1A1 P00352 1/20 0.51
KMT2A Q03164 4/20 0.50
BACE1 P56817 1/20 0.48
MAPT P10636 6/20 0.48
NPC1 O15118 6/20 0.48
RAB9A P51151 5/20 0.48
SMN1; SMN2 Q16637 4/20 0.48
MEN1 O00255 2/20 0.47
POLB P06746 1/20 0.47
MAPK1 P28482 1/20 0.47
RECQL P46063 1/20 0.47
CTSV O60911 1/20 0.47
CTSL P07711 1/20 0.47
MAOB P27338 1/20 0.47
AR P10275 1/20 0.46
SPHK2 Q9NRA0 1/20 0.46

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
SCHEMBL29262827 0.88 PKM (0.54) PKML3MBTL1ALDH1A1KMT2ABACE1
SCHEMBL7717335 0.88 PKM (0.50) PKML3MBTL1KMT2ABACE1MAPT
SCHEMBL5579572 0.86 MAPT (0.56) PKML3MBTL1TDP1ALDH1A1KMT2A
SCHEMBL2473470 0.83 TSHR (0.60) PKMTSHRTDP1ALDH1A1KMT2A
SCHEMBL29463865 0.82 PKM (0.53) PKML3MBTL1ALDH1A1KMT2ABACE1
SCHEMBL18638553 0.82 PKM (0.53) PKML3MBTL1ALDH1A1KMT2ABACE1
SCHEMBL5580003 0.81 CTSV (0.57) PKML3MBTL1TDP1ALDH1A1KMT2A
SCHEMBL11634119 0.81 PKM (0.65) PKML3MBTL1ALDH1A1KMT2ABACE1
SCHEMBL31556186 0.81 PKM (0.65) PKML3MBTL1ALDH1A1KMT2ABACE1
SCHEMBL30789268 0.80 MAPT (0.56) PKML3MBTL1TDP1ALDH1A1KMT2A

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
US-6383230-B1 COLORFASTNESS, PHOTOSTABILITY, WATERPROOFING, WEATHERPROOFING L'OREAL (FR) 2002-05-07 US disclosed
EP-1022271-A1 Cationic monobenzenic dyes, their use for the oxydative dyeing of keratinic fibres ,dye compositions and dyeing processes L'OREAL (FR) 2000-07-26 EP disclosed