SCHEMBL20903564

SCHEMBL20903564

C/C=C\C=C(/C)c1nc(-c2ccccc2)nc(-c2cc(-c3cccc(C(=C(c4ccccc4)c4ccccc4)c4ccccc4)c3)cc(-c3nc4ccccc4s3)c2)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 7/20 0.41
▸ RAB9A P51151 6/20 0.41
▸ KDM4E B2RXH2 6/20 0.41
▸ NPC1 O15118 3/20 0.41
▸ GAA P10253 1/20 0.41
▸ NFKB1 P19838 4/20 0.39
▸ NFKB2 Q00653 4/20 0.39
▸ RELA Q04206 4/20 0.39
▸ TP53 P04637 3/20 0.39
▸ POLB P06746 2/20 0.39
▸ LMNA P02545 2/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ MAPT P10636 9/20 0.38
▸ MEN1 O00255 4/20 0.38
▸ KMT2A Q03164 4/20 0.38
▸ DUSP3 P51452 1/20 0.38
▸ PTPN5 P54829 1/20 0.38
▸ PTPN11 Q06124 1/20 0.38
▸ CTDSP1 Q9GZU7 1/20 0.38
▸ TDP1 Q9NUW8 2/20 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
SCHEMBL20894815 0.85 RAB9A (0.52) SMN1; SMN2RAB9AKDM4ENPC1GAA
SCHEMBL21319434 0.81 RAB9A (0.57) SMN1; SMN2RAB9AKDM4ENPC1GAA
SCHEMBL20903495 0.79 CYP1A2 (0.39) KDM4ETP53LMNAHSD17B10MAPT
SCHEMBL20903527 0.78 RAB9A (0.50) SMN1; SMN2RAB9AKDM4ENPC1GAA
SCHEMBL20894612 0.76 RAB9A (0.51) SMN1; SMN2RAB9AKDM4ENPC1GAA
SCHEMBL22466378 0.75 RAB9A (0.66) SMN1; SMN2RAB9AKDM4ENPC1GAA
SCHEMBL27258689 0.74 APP (0.54) SMN1; SMN2RAB9AKDM4ENPC1GAA
SCHEMBL27049348 0.70 RAB9A (0.61) SMN1; SMN2RAB9AKDM4ENPC1GAA
SCHEMBL19369706 0.70 RAB9A (0.65) SMN1; SMN2RAB9AKDM4ENPC1GAA
SCHEMBL24332039 0.70 RAB9A (0.64) SMN1; SMN2RAB9AKDM4ENPC1GAA

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
EP-3470398-A1 ORGANIC ELECTRONIC DEVICE COMPRISING AN ORGANIC SEMICONDUCTOR LAYER Novaled GmbH (DE) 2019-04-17 — — EP disclosed
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