SCHEMBL7726317

SCHEMBL7726317

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KLK7 P49862 1/20 0.43
PLA2G2A P14555 4/20 0.41
GABRG2 P18507 5/20 0.40
GABRB3 P28472 5/20 0.40
GABRA3 P34903 5/20 0.40
GABRA2 P47869 4/20 0.40
GABRA1 P14867 3/20 0.40
GABRA5 P31644 2/20 0.40
KDM4E B2RXH2 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
LMNA P02545 3/20 0.38
ALDH1A1 P00352 2/20 0.38
UBE2N P61088 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
HTT P42858 1/20 0.38
CASP1 P29466 1/20 0.38
NPC1 O15118 2/20 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
SCHEMBL7726418 0.91 ALDH1A1 (0.39) KLK7KDM4ELMNAALDH1A1HTT
SCHEMBL7726321 0.76 KMT2A (0.56) KDM4ELMNAALDH1A1MAPT
SCHEMBL7720173 0.74 ADORA3 (0.40) KLK7PLA2G2AGABRG2GABRB3GABRA3
SCHEMBL7723102 0.73 PLA2G2A (0.54) KLK7PLA2G2AGABRG2GABRB3GABRA3
SCHEMBL7720344 0.72 PLA2G2A (0.51) KLK7PLA2G2AGABRG2GABRB3GABRA3
SCHEMBL7720367 0.71 MAPT (0.51) KDM4ELMNAALDH1A1UBE2NL3MBTL1
SCHEMBL1924728 0.71 CRHR1 (0.39) KLK7
SCHEMBL7723532 0.71 GABRG2 (0.49) PLA2G2AGABRG2GABRB3GABRA3GABRA2
SCHEMBL7730130 0.69 PLA2G2A (0.47) KLK7PLA2G2AGABRG2GABRB3GABRA3
SCHEMBL7720244 0.69 MAPT (0.51) PLA2G2AGABRG2GABRB3GABRA3GABRA2

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