SCHEMBL28519940

SCHEMBL28519940

CC#Cc1ccc(-c2cc[c]cc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A1 P04798 2/20 0.61
CYP1A2 P05177 2/20 0.61
CYP1B1 Q16678 2/20 0.61
KCNH2 Q12809 1/20 0.33
APP P05067 1/20 0.33
KIF11 P52732 1/20 0.33
GABRP O00591 1/20 0.33
GABRD O14764 1/20 0.33
GABRA1 P14867 1/20 0.33
GABRB1 P18505 1/20 0.33
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 0.33
GABRA5 P31644 1/20 0.33
GABRA3 P34903 1/20 0.33
GABRA2 P47869 1/20 0.33
GABRB2 P47870 1/20 0.33
GABRA4 P48169 1/20 0.33
GABRE P78334 1/20 0.33
GABRA6 Q16445 1/20 0.33
GABRG1 Q8N1C3 1/20 0.33

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
SCHEMBL643765 0.85
SCHEMBL16706064 0.79 CYP1A1 (0.64) CYP1A1CYP1A2CYP1B1KIF11MMP3
SCHEMBL28515756 0.78 CYP1A1 (0.47) CYP1A1CYP1A2CYP1B1APPGRM5
SCHEMBL28807778 0.77 CYP1A1 (0.35) CYP1A1CYP1A2CYP1B1MMP3
SCHEMBL5184857 0.77 APP (0.55) CYP1A1CYP1A2CYP1B1KCNH2APP
SCHEMBL3913662 0.77 CYP1A1 (0.65) CYP1A1CYP1A2CYP1B1KCNH2APP
SCHEMBL5680537 0.76 CYP1A2 (1.00) CYP1A1CYP1A2CYP1B1KCNH2APP
SCHEMBL15014210 0.74 CYP1A1 (0.64) CYP1A1CYP1A2CYP1B1KCNH2APP
SCHEMBL5678653 0.74 CYP1A2 (0.64) CYP1A1CYP1A2CYP1B1KCNH2KIF11
SCHEMBL9334226 0.74 CYP1A1 (0.64) CYP1A1CYP1A2CYP1B1KCNH2APP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106458904-B N-substituted sulfonamide compound and process for producing the same 宇部兴产株式会社 2021-12-03 CN disclosed
CN-106458903-B Method for producing heteroaromatic sulfonamide compound 宇部兴产株式会社 2021-02-05 CN disclosed