SCHEMBL25851013

SCHEMBL25851013

c1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2c(-c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3c(ccc5ccccc35)O4)cccc21

nearest known ligand 0.31

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.31
ATM Q13315 2/20 0.31
ALOX5 P09917 1/20 0.31
MAPK1 P28482 1/20 0.31
ALDH1A1 P00352 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2C19 P33261 1/20 0.30
RAB9A P51151 1/20 0.30
HSD17B10 Q99714 1/20 0.30
PDK2 Q15119 1/20 0.30
CTSD P07339 1/20 0.30
BACE1 P56817 1/20 0.30
BRD4 O60885 1/20 0.30

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
SCHEMBL25851121 0.97 ALOX5 (0.31) ALOX5
SCHEMBL25851474 0.94 ALOX5 (0.30) ALOX5PDK2
SCHEMBL25852810 0.93 KDM4E (0.31) KDM4E
SCHEMBL25850387 0.92 KDM4E (0.31) KDM4EATMMAPK1PDK2
SCHEMBL25851808 0.91 CTSD (0.30) CTSDBACE1BRD4
SCHEMBL25865248 0.90 PDK2 (0.34) KDM4EATMALDH1A1CYP1A2CYP2C19
SCHEMBL25879340 0.90 KDM4E (0.31) KDM4EATMMAPK1
SCHEMBL25851022 0.90 ALOX5 (0.31) ALOX5
SCHEMBL25847804 0.89 KDM4E (0.33) KDM4EATMMAPK1ALDH1A1CYP1A2
SCHEMBL25850931 0.89 PDK2 (0.33) KDM4EATMALDH1A1CYP1A2CYP2C19

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-2023120714-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENT, ORGANIC ELECTROLUMINESCENT ELEMENT, AND ELECTRONIC DEVICE 出光興産株式会社 2023-06-29 WO disclosed