SCHEMBL11780100

SCHEMBL11780100

Nc1ccc(OCc2cc(Cl)c(Cl)cc2Cl)cc1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAOB P27338 12/20 0.47
GAA P10253 2/20 0.47
MAOA P21397 2/20 0.47
MAPT P10636 1/20 0.47
RAB9A P51151 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
APP P05067 1/20 0.44
TSHR P16473 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
NR4A2 P43354 2/20 0.43
ALDH1A1 P00352 1/20 0.40
UBE2N P61088 1/20 0.40
KMT2A Q03164 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
CYP3A4 P08684 1/20 0.39

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
SCHEMBL11562469 0.82 NR4A2 (0.63) MAPTSMN1; SMN2NR4A2ALDH1A1UBE2N
SCHEMBL11091408 0.81 MAOB (0.56) MAOBMAPTRAB9AAPPTSHR
SCHEMBL21340749 0.80 MAOB (0.56) MAOBGAAMAOAMAPTRAB9A
SCHEMBL5921916 0.80 RAB9A (0.56) MAOBGAAMAOAMAPTRAB9A
SCHEMBL11093568 0.78 NPC1 (0.45) GAAMAPTRAB9ASMN1; SMN2L3MBTL1
SCHEMBL11093923 0.78 MAOB (0.69) MAOBGAAMAOAMAPTRAB9A
SCHEMBL11085725 0.76 IDO1 (0.39) MAOBGAAMAOAMAPTRAB9A
SCHEMBL11089926 0.76 IDO1 (0.56) MAOBGAAMAOAMAPTRAB9A
SCHEMBL1177867 0.75 NR4A2 (0.70) MAOBMAOARAB9ATSHRNR4A2
SCHEMBL28632277 0.74 MAOB (0.67) MAOBGAAMAOAMAPTRAB9A

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-3956264-A Basic azo dyestuffs having indolyl-methyleneamino substituent in the diazo component BAYER AKTIENGESELLSCHAFT (DT) 1976-05-11 US disclosed