Sugi Predict

Sugi Predict / Compounds / SCHEMBL17913094

SCHEMBL17913094

SCHEMBL17913094

C/C(=N\N(CCc1ccccc1)C(N)=S)c1ccc(S(=O)(=O)Nc2ccccc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ LIMK2 P53671 15/20 0.54
▸ LIMK1 P53667 8/20 0.54
▸ ABL1 P00519 1/20 0.48
▸ LCK P06239 1/20 0.48
▸ CA12 O43570 1/20 0.48
▸ CA9 Q16790 1/20 0.48
▸ TMPRSS6 Q8IU80 2/20 0.47
▸ HTR6 P50406 1/20 0.45

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
SCHEMBL17913040 0.79 CA12 (0.53) LIMK2LIMK1ABL1LCKCA12
SCHEMBL17913071 0.75 CA12 (0.48) CA12CA9TMPRSS6
SCHEMBL17913104 0.75 CA12 (0.48) LIMK2LIMK1ABL1LCKCA12
SCHEMBL17913099 0.74 CA12 (0.56) LIMK2LIMK1ABL1LCKCA12
SCHEMBL17913087 0.74 CA12 (0.69) LIMK2LIMK1ABL1LCKCA12
SCHEMBL17913048 0.74 ALOX12 (0.67) LIMK2LIMK1CA12CA9
SCHEMBL17913098 0.73 ALDH1A1 (0.47) LIMK2LIMK1ABL1LCKCA12
SCHEMBL17913068 0.73 PGR (0.49) LIMK2CA12CA9TMPRSS6
SCHEMBL17913091 0.71 TDP1 (0.67) CA12CA9
SCHEMBL17913041 0.69 ALDH1A1 (0.57) CA12CA9TMPRSS6

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
WO-2016111658-A1 SYNTHESIS OF THIOSEMICARBAZONE DERIVATIVES COMPRISING SULPHONAMIDE GROUP WITH POTENTIAL ANTICONVULSANT ACTIVITY IYIDOGAN AYSEGUL (TR) 2016-07-14 — — WO claimed