SCHEMBL28916632

SCHEMBL28916632

c1ccc(-c2cc3ccc4cccc5ccc(c2-c2ccc6ccc7cccc8ccc2c6c78)c3c45)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.49
ERBB2 P04626 1/20 0.49
FYN P06241 1/20 0.49
MAOA P21397 1/20 0.49
ACHE P22303 1/20 0.49
AHR P35869 1/20 0.49
MEN1 O00255 6/20 0.43
KMT2A Q03164 6/20 0.43
KDM4E B2RXH2 4/20 0.43
ALDH1A1 P00352 6/20 0.39
HPGD P15428 5/20 0.39
HSD17B10 Q99714 4/20 0.39
THRB P10828 1/20 0.39
TSHR P16473 3/20 0.39
CYP3A4 P08684 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
TP53 P04637 1/20 0.37
MAPK1 P28482 1/20 0.37
CASP1 P29466 1/20 0.37

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
SCHEMBL28340900 0.97 CYP1A2 (0.46) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL4451069 0.90 CYP1A2 (0.52) CYP1A2ERBB2FYNMAOAACHE
Ammonia Solution, Strong SCHEMBL27495767 0.88 CYP1A2 (0.50) CYP1A2ERBB2FYNMAOAACHE
Hydrogen Sulfide SCHEMBL28320580 0.88 CYP1A2 (0.50) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL6282423 0.85 CYP1A2 (0.50) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL11654321 0.84 CYP1A2 (0.57) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL28840215 0.84 ALDH1A1 (0.50) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL359994 0.84 ALDH1A1 (0.50) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL29789609 0.84 ALDH1A1 (0.50) CYP1A2ERBB2FYNMAOAACHE
Benzene SCHEMBL27999683 0.84 ALDH1A1 (0.50) CYP1A2ERBB2FYNMAOAACHE

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115505100-A Epoxy resin based on spirosilafluorene as skeleton and preparation method and application thereof 中国石油化工股份有限公司 2022-12-23 CN claimed
CN-115505099-A Epoxy resin containing carbazole structure and preparation method and application thereof 中国石油化工股份有限公司 2022-12-23 CN claimed
CN-115505100-A Epoxy resin based on spirosilafluorene as skeleton and preparation method and application thereof 中国石油化工股份有限公司 2022-12-23 CN disclosed
CN-115505099-A Epoxy resin containing carbazole structure and preparation method and application thereof 中国石油化工股份有限公司 2022-12-23 CN disclosed