SCHEMBL11095203

SCHEMBL11095203

Nc1ccccc1OCc1cc(Cl)c(Cl)cc1Cl

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.47
ALDH1A1 P00352 4/20 0.47
CYP1A2 P05177 2/20 0.43
CYP2C19 P33261 2/20 0.43
CYP2C9 P11712 1/20 0.43
F10 P00742 1/20 0.43
MAPT P10636 2/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 1/20 0.41
DCPS Q96C86 1/20 0.40
TP53 P04637 1/20 0.40
HTT P42858 1/20 0.40
LMNA P02545 1/20 0.39
RECQL P46063 1/20 0.39
CYP3A4 P08684 1/20 0.38
ADRA2B P18089 1/20 0.38
PTGS1 P23219 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
MPO P05164 1/20 0.38
SYK P43405 1/20 0.38

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
SCHEMBL29118568 0.82 ALDH1A1 (0.48) APPALDH1A1CYP1A2CYP2C19CYP2C9
SCHEMBL11091804 0.78 NPC1 (0.66) APPALDH1A1CYP1A2CYP2C19CYP2C9
Hydrochloric Acid SCHEMBL7569770 0.77 NPC1 (0.64) APPALDH1A1CYP1A2CYP2C19CYP2C9
SCHEMBL28339206 0.75 TP53 (0.57) MAPTNPC1RAB9ADCPSTP53
SCHEMBL4810509 0.74 APP (0.43) APPALDH1A1CYP1A2CYP2C19CYP2C9
Hydrochloric Acid SCHEMBL4811143 0.73 APP (0.42) APPALDH1A1CYP1A2CYP2C19CYP2C9
SCHEMBL11780100 0.71 MAOB (0.47) APPALDH1A1MAPTRAB9ACYP3A4
SCHEMBL19389412 0.71 IDO1 (0.55) APPALDH1A1CYP1A2CYP2C19CYP2C9
SCHEMBL4810956 0.71 ALDH1A1 (0.57) APPALDH1A1CYP1A2CYP2C19CYP2C9
SCHEMBL11089363 0.71 APP (0.69) APPALDH1A1CYP1A2CYP2C19CYP2C9

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 4 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-0113921-A2 Process for the manufacture of stable solutions 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
US-3956264-A Basic azo dyestuffs having indolyl-methyleneamino substituent in the diazo component BAYER AKTIENGESELLSCHAFT (DT) 1976-05-11 US disclosed