SCHEMBL24748874

SCHEMBL24748874

CC1(C)c2ccccc2-c2cccc(-c3ccc(N(c4ccc(-c5ccc6oc7ccccc7c6c5)cc4)c4cc(-c5ccc6ccccc6c5)ccc4-c4ccccc4)cc3)c21

nearest known ligand 0.31

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 2/20 0.31
PLA2G4A P47712 2/20 0.31
CASP3 P42574 1/20 0.31
SENP7 Q9BQF6 1/20 0.31
SENP6 Q9GZR1 1/20 0.31
ANO1 Q5XXA6 1/20 0.30
HSP90AA1 P07900 1/20 0.30
HSP90AB1 P08238 1/20 0.30
CHRNA1 P02708 1/20 0.30
CHRNG P07510 1/20 0.30
CHRNB1 P11230 1/20 0.30
CHRNB2 P17787 1/20 0.30
SLC6A2 P23975 1/20 0.30
CHRNB4 P30926 1/20 0.30
SLC6A4 P31645 1/20 0.30
CHRNA3 P32297 1/20 0.30
CHRNA4 P43681 1/20 0.30
SLC6A3 Q01959 1/20 0.30
CHRND Q07001 1/20 0.30
PLA2G10 O15496 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
SCHEMBL24749050 0.97 CASP3 (0.32) CASP3SENP7SENP6
SCHEMBL24748418 0.95 HCRTR1 (0.32) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2
SCHEMBL24748033 0.93 CA12 (0.32) PLA2G2APLA2G4AHSP90AA1HSP90AB1CHRNA1
SCHEMBL23233584 0.93 CASP3 (0.31) PLA2G2APLA2G4ACASP3SENP7SENP6
SCHEMBL24748354 0.93 PGR (0.32) PLA2G2APLA2G4ACASP3SENP7SENP6
SCHEMBL23233268 0.93 CASP3 (0.31) CASP3SENP7SENP6HSP90AA1HSP90AB1
SCHEMBL23233265 0.93 CASP3 (0.31) CASP3SENP7SENP6HSP90AA1HSP90AB1
SCHEMBL23179146 0.92 CASP3 (0.33) PLA2G2APLA2G4ACASP3SENP7SENP6
SCHEMBL23179686 0.92 CASP3 (0.33) PLA2G2APLA2G4ACASP3SENP7SENP6
SCHEMBL24919469 0.90 CASP3 (0.34) PLA2G2APLA2G4ACASP3SENP7SENP6

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-2022259886-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENTS, ORGANIC ELECTROLUMINESCENT ELEMENT AND ELECTRONIC DEVICE 出光興産株式会社 2022-12-15 WO disclosed