SCHEMBL8585239

SCHEMBL8585239

CCCNc1ccc(-c2ccsc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FYN P06241 1/20 0.45
CYP2A6 P11509 4/20 0.44
CYP2E1 P05181 2/20 0.44
CYP2B6 P20813 2/20 0.44
CYP17A1 P05093 3/20 0.41
CYP11B1 P15538 1/20 0.41
CYP11B2 P19099 1/20 0.41
GRIA4 P48058 2/20 0.40
LPL P06858 1/20 0.39
LIPG Q9Y5X9 1/20 0.39
PRMT6 Q96LA8 1/20 0.38
KCNH2 Q12809 1/20 0.38
TNIK Q9UKE5 1/20 0.37
EEF2K O00418 1/20 0.37
DYRK3 O43781 1/20 0.37
JAK2 O60674 1/20 0.37
RPS6KA5 O75582 1/20 0.37
PRKD3 O94806 1/20 0.37
MAP4K4 O95819 1/20 0.37
CDK1 P06493 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
SCHEMBL29964468 0.82 MAPT (0.50) TNIKLIMK1MAPT
SCHEMBL1947692 0.82 CYP2A6 (0.44) CYP2A6CYP2E1CYP2B6CYP17A1CYP11B1
SCHEMBL6193428 0.79
SCHEMBL1924747 0.76 MAPT (0.57) TNIKMAPT
SCHEMBL22182001 0.76 LIMK1 (0.54) FYNTNIKLIMK1MAPT
SCHEMBL2492357 0.75 MAPT (0.67) TNIKPIM1AURKBNPC1MAPT
SCHEMBL8260133 0.75 ALDH1A1 (0.48) NPC1MAPT
SCHEMBL16375393 0.75 CYP2A6 (0.52) FYNCYP2A6CYP2E1CYP2B6CYP17A1
SCHEMBL17680376 0.74 CYP2A6 (0.47) CYP2A6CYP2E1CYP2B6CYP17A1CYP11B1
SCHEMBL28182009 0.73 CYP3A4 (0.46) TNIKMAPT

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-1251523-A Sulfonamide derivatives LILLY CO ELI (US) 2000-04-26 CN disclosed
WO-1998033496-A1 SULPHONAMIDE DERIVATIVES ELI LILLY AND COMPANY (US) 1998-08-06 WO disclosed