SCHEMBL11087733

SCHEMBL11087733

Nc1cccc(OCc2ccc(Cl)c(Cl)c2)c1

nearest known ligand 0.63

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAOB P27338 6/20 0.63
APP P05067 1/20 0.62
NPC1 O15118 2/20 0.52
MAPT P10636 1/20 0.52
RAB9A P51151 1/20 0.52
CYP2D6 P10635 2/20 0.52
IDO1 P14902 2/20 0.51
MRGPRX4 Q96LA9 1/20 0.50
TP53 P04637 1/20 0.50
CYP3A4 P08684 1/20 0.50
ALDH1A1 P00352 1/20 0.49
CYP2C19 P33261 1/20 0.49
FFAR1 O14842 1/20 0.48
MAOA P21397 1/20 0.47
ALOX5 P09917 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
SCHEMBL4638746 0.83 MAOB (0.72) MAOBAPPTP53CYP3A4MAOA
SCHEMBL14860962 0.82 MAOB (0.70) MAOBAPPIDO1CYP3A4ALDH1A1
SCHEMBL11089926 0.81 IDO1 (0.56) MAOBAPPNPC1MAPTRAB9A
SCHEMBL4796227 0.81 NPC1 (0.60) MAOBAPPNPC1MAPTRAB9A
SCHEMBL11118881 0.81 MRGPRX4 (0.59) MAOBNPC1CYP2D6IDO1MRGPRX4
SCHEMBL11091408 0.79 MAOB (0.56) MAOBAPPNPC1MAPTRAB9A
SCHEMBL4638466 0.79 MAOB (0.70) MAOBAPPRAB9AMRGPRX4TP53
SCHEMBL10983598 0.78 MRGPRX4 (0.48) MAOBAPPNPC1MAPTRAB9A
SCHEMBL11240932 0.78 MAOB (0.59) MAOBAPPNPC1MAPTRAB9A
SCHEMBL4639191 0.78 MAOB (0.59) MAOBAPPNPC1RAB9ATP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0113922-A2 Process for the manufacture of cationic methine dyes BAYER AG (DE) 1984-07-25 EP disclosed
EP-0113920-A2 Process for the manufacture of stable solutions of cationic methine dyes, and their use in spin dyeing BAYER AG (DE) 1984-07-25 EP disclosed
EP-0113921-A2 Process for the manufacture of stable solutions of cationic methine dyes BAYER AG (DE) 1984-07-25 EP disclosed