SCHEMBL29992010

SCHEMBL29992010

Clc1ccc2c(c1)oc1cc(-c3c4ccccc4c(-c4cccc5ccccc45)c4ccccc34)ccc12

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AHR P35869 3/20 0.54
CYP1A2 P05177 6/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP2C19 P33261 1/20 0.41
RAB9A P51151 1/20 0.41
ATM Q13315 1/20 0.41
HSD17B10 Q99714 1/20 0.41
CA1 P00915 3/20 0.39
CA2 P00918 3/20 0.39
PSD A5PKW4 1/20 0.39
CYP1A1 P04798 5/20 0.39
CYP1B1 Q16678 5/20 0.39

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
SCHEMBL28526947 1.00 AHR (0.54) AHRCYP1A2KDM4EALDH1A1CYP2C19
SCHEMBL1687675 0.89 AHR (0.44) AHRCYP1A2KDM4EALDH1A1CYP2C19
SCHEMBL22903521 0.89 PSD (0.41) CYP1A2KDM4EALDH1A1CYP2C19RAB9A
SCHEMBL22903480 0.87 AHR (0.42) AHRCYP1A2KDM4EALDH1A1CYP2C19
SCHEMBL25625137 0.87 AHR (0.52) AHRCYP1A2KDM4EALDH1A1CYP2C19
SCHEMBL26240265 0.86 AHR (0.43) AHRCYP1A2KDM4EALDH1A1CYP2C19
SCHEMBL23427348 0.86 PSD (0.40) AHRCYP1A2KDM4EALDH1A1CYP2C19
SCHEMBL21881094 0.86 AHR (0.41) AHRCYP1A2KDM4EALDH1A1CYP2C19
SCHEMBL17944080 0.86 AHR (0.41) AHRCYP1A2KDM4EALDH1A1CYP2C19
SCHEMBL16067594 0.86 PSD (0.40) AHRCYP1A2KDM4EALDH1A1CYP2C19

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
CN-112500397-B Organic electroluminescent material with dibenzofuran-connected anthracene core structure and preparation method and device thereof 武汉尚赛光电科技有限公司 2022-11-11 CN disclosed