SCHEMBL29989642

SCHEMBL29989642

C(=Nc1cccc2ccccc12)=Nc1cccc2ccccc12

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 5/20 0.69
ALDH1A1 P00352 5/20 0.69
HSD17B10 Q99714 4/20 0.69
CYP3A4 P08684 3/20 0.69
HPGD P15428 3/20 0.69
TDP1 Q9NUW8 2/20 0.69
ABCB11 O95342 1/20 0.69
NR3C1 P04150 1/20 0.69
ADRA2A P08913 1/20 0.69
ADORA3 P0DMS8 1/20 0.69
ALOX15 P16050 1/20 0.69
ADRA2C P18825 1/20 0.69
MAOA P21397 1/20 0.69
DRD1 P21728 1/20 0.69
SLC6A4 P31645 1/20 0.69
HTR2B P41595 1/20 0.69
CCR2 P41597 1/20 0.69
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46

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
SCHEMBL194924 1.00 CYP1A2 (0.69) CYP1A2ALDH1A1HSD17B10CYP3A4HPGD
SCHEMBL17958839 0.92 ALDH1A1 (0.60) CYP1A2ALDH1A1HSD17B10CYP3A4HPGD
SCHEMBL17958842 0.87 HPRT1 (0.56) CYP1A2ALDH1A1HSD17B10CYP3A4HPGD
SCHEMBL132408 0.82 CYP1A2 (0.64) CYP1A2ALDH1A1HSD17B10CYP3A4HPGD
1-Naphthylisothiocyanate SCHEMBL29354904 0.82 ALDH1A1 (1.00) CYP1A2ALDH1A1HSD17B10CYP3A4HPGD
Alpha-Naphthylisocyanate SCHEMBL29400034 0.82 CYP1A2 (0.64) CYP1A2ALDH1A1HSD17B10CYP3A4HPGD
1-Naphthylisothiocyanate SCHEMBL419795 0.82 ALDH1A1 (1.00) CYP1A2ALDH1A1HSD17B10CYP3A4HPGD
Alpha-Naphthylisocyanate SCHEMBL374 0.82 CYP1A2 (0.64) CYP1A2ALDH1A1HSD17B10CYP3A4HPGD
Alpha-Naphthylisocyanate SCHEMBL3333508 0.80 CYP1A2 (0.62) CYP1A2ALDH1A1HSD17B10CYP3A4HPGD
1-Naphthylisothiocyanate SCHEMBL27487887 0.80 ALDH1A1 (0.96) CYP1A2ALDH1A1HSD17B10CYP3A4HPGD

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-115427515-A Resin composition for galvanometer laser welding, molded article, galvanometer laser welding kit, onboard camera part, onboard camera module, ultraviolet exposure body, and method for manufacturing molded article 三菱工程塑料株式会社 2022-12-02 CN disclosed