SCHEMBL24969200

SCHEMBL24969200

Clc1cccc2sc3ccc(-c4ccc5oc6ccccc6c5c4)cc3c12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHR P35869 4/20 0.45
KDM4E B2RXH2 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
RAB9A P51151 1/20 0.39
KMT2A Q03164 1/20 0.39
TTR P02766 2/20 0.38
PLA2G2A P14555 2/20 0.36
PLA2G4A P47712 2/20 0.36
PLA2G10 O15496 1/20 0.36
IDO1 P14902 2/20 0.35
BCAT1 P54687 1/20 0.35
LMNA P02545 1/20 0.34
CASP3 P42574 1/20 0.34
SENP7 Q9BQF6 1/20 0.34
SENP6 Q9GZR1 1/20 0.34

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
SCHEMBL23058240 0.88 AHR (0.40) AHRKDM4ESMN1; SMN2MEN1NPC1
SCHEMBL31616171 0.86 PIM1 (0.39) AHRTTRPLA2G2APLA2G4APLA2G10
SCHEMBL24217119 0.85 ALOX5 (0.51) AHR
SCHEMBL23314307 0.84 GPR3 (0.45) KDM4ESMN1; SMN2MEN1NPC1ALDH1A1
SCHEMBL20706688 0.83 MAPT (0.47) AHRKDM4ESMN1; SMN2MEN1NPC1
SCHEMBL25584853 0.83 AHR (0.56) AHRKDM4ESMN1; SMN2MEN1NPC1
SCHEMBL15836095 0.83 MAPT (0.47) AHRKDM4ESMN1; SMN2MEN1NPC1
SCHEMBL20277487 0.83 MAPT (0.47) AHRKDM4ESMN1; SMN2MEN1NPC1
SCHEMBL20706801 0.83 MAPT (0.47) AHRKDM4ESMN1; SMN2MEN1NPC1
SCHEMBL20277467 0.83 MAPT (0.50) AHRKDM4ESMN1; SMN2MEN1NPC1

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
WO-2023003234-A1 COMPOUND FOR ORGANIC ELECTRIC ELEMENT, ORGANIC ELECTRIC ELEMENT USING SAME, AND ELECTRONIC DEVICE THEREOF 덕산네오룩스 주식회사 2023-01-26 WO disclosed