SCHEMBL9656136

SCHEMBL9656136

CC(=NN)c1ccc(Cl)s1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.57
F2 P00734 1/20 0.52
ALDH1A1 P00352 6/20 0.51
ALOX12 P18054 4/20 0.51
NPSR1 Q6W5P4 3/20 0.51
TDP1 Q9NUW8 6/20 0.50
KMT2A Q03164 5/20 0.50
MEN1 O00255 4/20 0.50
MAPT P10636 4/20 0.50
AHR P35869 1/20 0.50
GAA P10253 6/20 0.47
LMNA P02545 3/20 0.47
HPGD P15428 2/20 0.47
DAO P14920 1/20 0.47
NPC1 O15118 4/20 0.46
RAB9A P51151 3/20 0.46
GSK3B P49841 1/20 0.42
POLB P06746 1/20 0.42
RECQL P46063 1/20 0.41
KDM4E B2RXH2 1/20 0.40

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
SCHEMBL247113 0.81 HTT (0.54) HTTF2ALDH1A1ALOX12NPSR1
SCHEMBL14815168 0.81 HTT (0.54) HTTF2ALDH1A1ALOX12NPSR1
SCHEMBL248217 0.81 HTT (0.54) HTTF2ALDH1A1ALOX12NPSR1
SCHEMBL5424302 0.75 ALDH1A1 (0.57) HTTALDH1A1NPSR1KMT2AMEN1
SCHEMBL4705536 0.71
SCHEMBL3492 0.71
SCHEMBL11720877 0.70 GSK3B (0.50) HTTF2ALDH1A1ALOX12NPSR1
SCHEMBL8337123 0.70 F2 (0.50) HTTF2ALDH1A1ALOX12NPSR1
SCHEMBL27605459 0.69 F2 (0.50) HTTF2ALDH1A1ALOX12NPSR1
SCHEMBL92875 0.69

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0299974-B1 ANTHELMINTIC ACYLHYDRAZONES, METHOD OF USE AND COMPOSITIONS THE UPJOHN COMPANY (US) 1992-01-22 EP claimed
EP-0299974-A1 ANTHELMINTIC ACYLHYDRAZONES, METHOD OF USE AND COMPOSITIONS. UPJOHN CO (US) 1989-01-25 EP claimed
WO-1987006127-A1 ANTHELMINTIC ACYLHYDRAZONES, METHOD OF USE AND COMPOSITIONS THE UPJOHN COMPANY (US) 1987-10-22 WO claimed
EP-0299974-B1 ANTHELMINTIC ACYLHYDRAZONES, METHOD OF USE AND COMPOSITIONS THE UPJOHN COMPANY (US) 1992-01-22 EP disclosed
EP-0299974-A1 ANTHELMINTIC ACYLHYDRAZONES, METHOD OF USE AND COMPOSITIONS. UPJOHN CO (US) 1989-01-25 EP disclosed
WO-1987006127-A1 ANTHELMINTIC ACYLHYDRAZONES, METHOD OF USE AND COMPOSITIONS THE UPJOHN COMPANY (US) 1987-10-22 WO disclosed