SCHEMBL2838100

SCHEMBL2838100

Nc1cc(CCO)c([N+](=O)[O-])c(CCO)c1O.O=[N+]([O-])c1cc(O)ccc1NCCO.O=[N+]([O-])c1ccccc1NCCO

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PKM P14618 4/20 0.42
ALDH1A1 P00352 4/20 0.41
TDP1 Q9NUW8 2/20 0.41
TSHR P16473 1/20 0.41
KAT2B Q92831 2/20 0.40
MAPT P10636 7/20 0.38
KMT2A Q03164 3/20 0.38
LMNA P02545 3/20 0.38
POLB P06746 2/20 0.38
MEN1 O00255 2/20 0.38
GAA P10253 2/20 0.38
RAB9A P51151 3/20 0.36
MAPK1 P28482 1/20 0.36
NPC1 O15118 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
SCHEMBL6001854 0.82 TDP1 (0.56) PKMALDH1A1TDP1TSHRKAT2B
SCHEMBL123882 0.77 GPR35 (0.39) ALDH1A1TSHRPOLBGAA
SCHEMBL24055 0.76 ALDH1A1 (0.63) PKMALDH1A1TDP1TSHRKAT2B
SCHEMBL29410422 0.76 ALDH1A1 (0.63) PKMALDH1A1TDP1TSHRKAT2B
SCHEMBL3385540 0.75 KAT2B (0.52) PKMALDH1A1TDP1TSHRKAT2B
SCHEMBL6847474 0.75 MAPT (0.67) PKMALDH1A1TDP1TSHRKAT2B
Bromide SCHEMBL28440810 0.75 ALDH1A1 (0.62) PKMALDH1A1TDP1TSHRKAT2B
SCHEMBL29145623 0.73 PKM (0.51) PKMALDH1A1TDP1TSHRKAT2B
SCHEMBL110446 0.72 KAT2B (0.66) PKMALDH1A1TDP1TSHRKAT2B
SCHEMBL29390623 0.72 KAT2B (0.66) PKMALDH1A1TDP1TSHRKAT2B

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
WO-2010100231-A1 DEVICE FOR DISPENSING A COLOURING COMPOSITION FOR KERATIN FIBRES AND ASSOCIATED PROCESS L'OREAL (FR) 2010-09-10 WO disclosed