SCHEMBL17913038

SCHEMBL17913038

CC(=NNC(=S)Nc1ccc(Br)cc1)c1ccc(S(=O)(=O)Nc2ccccc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 2/20 0.55
ALDH1A1 P00352 6/20 0.54
MEN1 O00255 7/20 0.53
KMT2A Q03164 7/20 0.53
GPR55 Q9Y2T6 1/20 0.53
MAPT P10636 3/20 0.52
LMNA P02545 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
GPR27 Q9NS67 2/20 0.52
TDP1 Q9NUW8 2/20 0.51
HTT P42858 1/20 0.51
ATM Q13315 1/20 0.51
CA12 O43570 1/20 0.50
CA9 Q16790 1/20 0.50
NPC1 O15118 2/20 0.49
CYP1A2 P05177 2/20 0.49
CYP3A4 P08684 2/20 0.49
CYP2C19 P33261 2/20 0.49
CYP2C9 P11712 1/20 0.49
ALOX12 P18054 1/20 0.49

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
SCHEMBL17913041 0.93 ALDH1A1 (0.57) FAAHALDH1A1MEN1KMT2AGPR55
SCHEMBL17913039 0.89 MEN1 (0.56) FAAHALDH1A1MEN1KMT2AGPR55
SCHEMBL17913072 0.89 PPIA (0.58) FAAHALDH1A1MEN1KMT2AMAPT
SCHEMBL17913070 0.87 PPIA (0.59) ALDH1A1MEN1KMT2AGPR55MAPT
SCHEMBL17913097 0.87 PPIA (0.59) ALDH1A1MEN1KMT2AGPR55MAPT
SCHEMBL17913095 0.87 ALDH1A1 (0.56) FAAHALDH1A1MEN1KMT2AGPR55
SCHEMBL17913065 0.84 MAPT (0.63) FAAHALDH1A1MEN1KMT2AMAPT
SCHEMBL17913088 0.82 PPIA (0.64) ALDH1A1MEN1KMT2AMAPTLMNA
SCHEMBL17913096 0.79 MAPT (0.51) ALDH1A1MEN1KMT2AGPR55MAPT
SCHEMBL17913091 0.79 TDP1 (0.67) ALDH1A1MEN1KMT2AMAPTLMNA

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