SCHEMBL11387712

SCHEMBL11387712

COc1cccc2c(=O)c3cc(N)ccc3oc12

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOA P21397 12/20 0.69
▸ NPC1 O15118 5/20 0.69
▸ RAB9A P51151 4/20 0.69
▸ KDM4E B2RXH2 3/20 0.69
▸ ALDH1A1 P00352 3/20 0.69
▸ LMNA P02545 1/20 0.69
▸ SMN1; SMN2 Q16637 3/20 0.57
▸ MAPT P10636 3/20 0.57
▸ GFER P55789 1/20 0.57
▸ KMT2A Q03164 2/20 0.51
▸ MEN1 O00255 1/20 0.51
▸ MAPK1 P28482 1/20 0.47
▸ TLR9 Q9NR96 1/20 0.46
▸ HPGD P15428 2/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ HSD17B10 Q99714 1/20 0.46
▸ CASP3 P42574 1/20 0.45
▸ SENP8 Q96LD8 1/20 0.45
▸ SENP7 Q9BQF6 1/20 0.45
▸ SENP6 Q9GZR1 1/20 0.45

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
Hydrochloric Acid SCHEMBL11391180 0.99 MAOA (0.68) MAOANPC1RAB9AKDM4EALDH1A1
SCHEMBL11398007 0.84 MAOA (0.71) MAOANPC1RAB9AKDM4EALDH1A1
SCHEMBL10882462 0.83 MAOA (0.69) MAOANPC1RAB9AKDM4EALDH1A1
SCHEMBL789119 0.82 MAOA (1.00) MAOANPC1RAB9AKDM4EALDH1A1
SCHEMBL11385812 0.79 MAOA (0.63) MAOANPC1RAB9AKDM4EALDH1A1
SCHEMBL20317209 0.79 MAOA (0.71) MAOANPC1RAB9AKDM4EALDH1A1
SCHEMBL20317274 0.78 MAOA (0.65) MAOANPC1RAB9AKDM4EALDH1A1
SCHEMBL13712758 0.76 MAOA (0.75) MAOANPC1RAB9AKDM4EALDH1A1
SCHEMBL7335491 0.76 MAOA (1.00) MAOANPC1RAB9AKDM4EALDH1A1
SCHEMBL21327502 0.76 MAOA (0.75) MAOANPC1RAB9AKDM4EALDH1A1

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-4268514-A ANALGESICS IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1981-05-19 — — US disclosed
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