SCHEMBL29660577

SCHEMBL29660577

Cc1ccc2cc3ccc(C)cc3nc2c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 4/20 0.65
NQO2 P16083 1/20 0.58
CYP2A6 P11509 3/20 0.55
ALDH1A1 P00352 8/20 0.53
KMT2A Q03164 2/20 0.53
NPSR1 Q6W5P4 1/20 0.53
TERT O14746 2/20 0.52
APP P05067 1/20 0.52
NCK1 P16333 1/20 0.52
BACE1 P56817 1/20 0.52
LMNA P02545 2/20 0.50
ACHE P22303 2/20 0.50
MEN1 O00255 1/20 0.50
F2 P00734 1/20 0.50
CHRM2 P08172 1/20 0.50
HTR1A P08908 1/20 0.50
ADRA2A P08913 1/20 0.50
ADORA3 P0DMS8 1/20 0.50
MAOA P21397 1/20 0.50
DRD1 P21728 1/20 0.50

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
SCHEMBL9755328 1.00 CYP1A2 (0.65) CYP1A2NQO2CYP2A6ALDH1A1KMT2A
SCHEMBL9755319 0.91 CYP1A2 (0.65) CYP1A2NQO2CYP2A6ALDH1A1KMT2A
SCHEMBL862528 0.89 CYP1A2 (0.54) CYP1A2NQO2CYP2A6ALDH1A1KMT2A
SCHEMBL6681790 0.89 NQO2 (0.65) CYP1A2NQO2CYP2A6ALDH1A1KMT2A
Acetic Acid SCHEMBL28499052 0.87 ALDH1A1 (0.62) CYP1A2NQO2CYP2A6ALDH1A1KMT2A
Hydrochloric Acid SCHEMBL29033530 0.87 NQO2 (0.63) CYP1A2NQO2CYP2A6ALDH1A1KMT2A
Iodide SCHEMBL27917416 0.87 NQO2 (0.63) CYP1A2NQO2CYP2A6ALDH1A1KMT2A
Iodide SCHEMBL1353852 0.87 NQO2 (0.63) CYP1A2NQO2CYP2A6ALDH1A1KMT2A
SCHEMBL12620669 0.87 LMNA (0.75) CYP1A2NQO2ALDH1A1KMT2ANPSR1
SCHEMBL20008616 0.85 TERT (0.80) CYP1A2NQO2CYP2A6ALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111315828-B Composition, cured product, optical filter, and method for producing cured product 株式会社艾迪科 2023-09-29 CN disclosed
CN-112154167-B Composition, cured product, optical filter, and method for producing cured product 株式会社艾迪科 2023-08-22 CN disclosed
CN-110114376-B Curable composition, method for producing cured product, cured product thereof, and adhesive using same 株式会社ADEKA 2022-06-14 CN disclosed