SCHEMBL28473457

SCHEMBL28473457

COc1cccc(C=Cc2nc3cc(Cl)c(Cl)cc3[nH]c2=O)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.50
▸ KMT2A Q03164 2/20 0.50
▸ TLR9 Q9NR96 1/20 0.50
▸ KDM4E B2RXH2 3/20 0.47
▸ NPC1 O15118 2/20 0.47
▸ MAPT P10636 2/20 0.47
▸ RAB9A P51151 2/20 0.47
▸ ALDH1A1 P00352 2/20 0.47
▸ MAPK10 P53779 1/20 0.47
▸ PLA2G10 O15496 1/20 0.45
▸ MGAM O43451 1/20 0.45
▸ PLA2G2A P14555 1/20 0.45
▸ PLA2G5 P39877 1/20 0.45
▸ PLA2G12A Q9BZM1 1/20 0.45
▸ RELA Q04206 1/20 0.44
▸ TUBB4A P04350 2/20 0.43
▸ TUBB P07437 2/20 0.43
▸ TUBA3C P0DPH7 2/20 0.43
▸ TUBA1B P68363 2/20 0.43
▸ TUBA4A P68366 2/20 0.43

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
SCHEMBL28899811 0.87 NPC1 (0.52) MEN1KMT2ATLR9KDM4ENPC1
SCHEMBL28465009 0.83 NPC1 (0.68) MEN1KMT2AKDM4ENPC1MAPT
SCHEMBL28471161 0.83 MEN1 (0.48) MEN1KMT2ATLR9KDM4ENPC1
SCHEMBL28899889 0.82 NPC1 (0.52) MEN1KMT2AKDM4ENPC1MAPT
SCHEMBL28463762 0.78 NPC1 (0.55) MEN1KMT2AKDM4ENPC1MAPT
SCHEMBL28465287 0.78 KMT2A (0.59) MEN1KMT2ATLR9KDM4ENPC1
SCHEMBL28473184 0.78 NPC1 (0.69) MEN1KMT2AKDM4ENPC1MAPT
SCHEMBL28470091 0.76 RAB9A (0.53) MEN1KMT2AKDM4ENPC1MAPT
SCHEMBL6311013 0.76 NPC1 (0.66) MEN1KMT2AKDM4ENPC1MAPT
SCHEMBL6311016 0.76 NPC1 (0.66) MEN1KMT2AKDM4ENPC1MAPT

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
CN-111675665-A Styryl-containing quinoxalinone derivatives and preparation method thereof 南京大学 2020-09-18 — — CN disclosed
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