SCHEMBL7720173

SCHEMBL7720173

COC(=O)c1cc(-c2ccc(SC)cc2)nn(CC(C)C)c1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 4/20 0.40
ADORA2A P29274 1/20 0.40
ADORA2B P29275 1/20 0.40
ADORA1 P30542 1/20 0.40
KLK7 P49862 1/20 0.37
MEN1 O00255 5/20 0.36
KMT2A Q03164 5/20 0.36
POLB P06746 1/20 0.36
GABRG2 P18507 1/20 0.35
GABRB3 P28472 1/20 0.35
GABRA3 P34903 1/20 0.35
GAA P10253 1/20 0.34
PLA2G2A P14555 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
NPC1 O15118 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
UBE2N P61088 1/20 0.34
KDM4E B2RXH2 1/20 0.34
HPGD P15428 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL1925245 0.87 ADORA3 (0.40) ADORA3ADORA2AADORA2BADORA1MEN1
SCHEMBL1926204 0.87 MEN1 (0.47) MEN1KMT2APOLBTDP1KDM4E
SCHEMBL7726706 0.87 ADORA3 (0.40) ADORA3ADORA2AADORA2BADORA1MEN1
SCHEMBL1924326 0.86 MEN1 (0.47) MEN1KMT2APOLBGABRG2GABRB3
SCHEMBL1925329 0.86 MEN1 (0.49) MEN1KMT2APOLBGABRG2GABRB3
SCHEMBL27535217 0.84 MEN1 (0.41) MEN1KMT2APOLBGABRG2GABRB3
SCHEMBL1925723 0.83 CFTR (0.41) ADORA3GAAL3MBTL1KDM4EHPGD
SCHEMBL1925105 0.83 MEN1 (0.39) MEN1KMT2APOLBGABRG2GABRB3
SCHEMBL1924728 0.83 CRHR1 (0.39) ADORA3ADORA2AADORA2BADORA1KLK7
SCHEMBL7720313 0.82 DHODH (0.49) MEN1KMT2AGAAHPGDSMN1; SMN2

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
US-6403586-B1 Pyridazine derivatives and drugs containing the same as the active ingredient KOWA CO., LTD. (JP) 2002-06-11 US disclosed
EP-1061077-A1 NOVEL PYRIDAZINE DERIVATIVES AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT Kowa Co., Ltd. (JP) 2000-12-20 EP disclosed