SCHEMBL9748186

SCHEMBL9748186

NNc1nnc(S(=O)(=O)NC(N)=O)c2ccccc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.53
MAOA P21397 2/20 0.53
PTGS1 P23219 2/20 0.53
MAPT P10636 2/20 0.53
TDP1 Q9NUW8 2/20 0.53
ADORA3 P0DMS8 1/20 0.53
OPRM1 P35372 1/20 0.53
KCNH2 Q12809 1/20 0.53
GOT1 P17174 3/20 0.45
KDM4E B2RXH2 4/20 0.37
TP53 P04637 2/20 0.37
CYP3A4 P08684 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
NPC1 O15118 1/20 0.37
LMNA P02545 1/20 0.37
MPO P05164 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
PKM P14618 1/20 0.37
THPO P40225 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
Dihydralazine SCHEMBL1374523 0.77 ALDH1A1 (0.75) ALDH1A1MAOAPTGS1MAPTTDP1
Dihydralazine SCHEMBL29794531 0.77 ALDH1A1 (0.75) ALDH1A1MAOAPTGS1MAPTTDP1
Dihydralazine SCHEMBL2129435 0.76 ALDH1A1 (0.72) ALDH1A1MAOAPTGS1MAPTTDP1
Dihydralazine SCHEMBL28451578 0.76 ALDH1A1 (0.72) ALDH1A1MAOAPTGS1MAPTTDP1
Dihydralazine SCHEMBL29950602 0.76 ALDH1A1 (0.72) ALDH1A1MAOAPTGS1MAPTTDP1
Dihydralazine SCHEMBL149629 0.73 ALDH1A1 (1.00) ALDH1A1MAOAPTGS1MAPTTDP1
Dihydralazine SCHEMBL29484435 0.73 ALDH1A1 (1.00) ALDH1A1MAOAPTGS1MAPTTDP1
Dihydralazine SCHEMBL3462832 0.69 ALDH1A1 (0.90) ALDH1A1MAOAPTGS1MAPTTDP1
SCHEMBL8536092 0.69 KDM4E (0.44) KDM4ECYP3A4SMN1; SMN2NPC1CYP1A2
SCHEMBL19358618 0.67 MAPT (0.75) ALDH1A1MAOAPTGS1MAPTTDP1

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
EP-0274467-B1 HEPATOCYTE DIRECTED VESICLE DELIVERY SYSTEM GEHO, W., Blair (US) 1992-05-20 EP claimed