Sugi Predict

Sugi Predict / Compounds / SCHEMBL25850863

SCHEMBL25850863

SCHEMBL25850863

c1ccc2c(c1)Oc1cc(-c3cccc4c3C3(c5ccccc5-4)c4ccccc4-c4ccc5ccccc5c43)ccc1C21c2ccccc2-c2ccccc21

nearest known ligand 0.31

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.31
▸ ATM Q13315 2/20 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

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
SCHEMBL25850861 0.93 CHRNA1 (0.31) KDM4E
SCHEMBL25850866 0.93 KDM4E (0.31) KDM4EATMMAPK1ALDH1A1CYP1A2
SCHEMBL25850798 0.92 CHRNA1 (0.31) —
SCHEMBL25858740 0.92 MCL1 (0.32) KDM4EATMMAPK1ALDH1A1CYP1A2
SCHEMBL25850641 0.91 PDK2 (0.31) KDM4EATMMAPK1ALDH1A1CYP1A2
SCHEMBL25850449 0.91 KDM4E (0.31) KDM4EATMMAPK1ALDH1A1CYP1A2
SCHEMBL25864078 0.91 PDK2 (0.31) KDM4EATMMAPK1ALDH1A1CYP1A2
SCHEMBL25850333 0.90 KDM4E (0.31) KDM4EATMMAPK1
SCHEMBL25858737 0.89 KDM4E (0.33) KDM4EATMMAPK1
SCHEMBL25853719 0.88 PDK2 (0.32) —

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