SCHEMBL25869466

SCHEMBL25869466

CC1(C)c2ccccc2-c2c(-c3ccccc3-c3ccc4c5c(cccc35)-c3ccccc3S4)cccc21

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CRHBP P24387 1/20 0.34
CRHR2 Q13324 1/20 0.34
KEAP1 Q14145 1/20 0.34
NFE2L2 Q16236 1/20 0.34
TYMS P04818 1/20 0.30
KDM4E B2RXH2 1/20 0.30
MAPT P10636 1/20 0.30
PABPC1 P11940 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL25869218 0.90 PDK2 (0.30)
SCHEMBL25868992 0.88
SCHEMBL25869473 0.87 CRHBP (0.31) CRHBPCRHR2KEAP1NFE2L2TYMS
SCHEMBL25845583 0.85 TYMS (0.31) TYMS
SCHEMBL25869468 0.85 CRHBP (0.31) CRHBPCRHR2KEAP1NFE2L2
SCHEMBL25845375 0.85 CRHBP (0.33) CRHBPCRHR2KEAP1NFE2L2
SCHEMBL25869575 0.85 PDK2 (0.34) CRHBPCRHR2KEAP1NFE2L2
SCHEMBL25869465 0.84 KDM4E (0.31) KDM4EMAPTSMN1; SMN2
SCHEMBL25845582 0.84
SCHEMBL25845471 0.82 KDM4E (0.32) KDM4EMAPTSMN1; SMN2

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