SCHEMBL7720178

SCHEMBL7720178

COC(=O)c1cc(-c2ccc(OC)c(OC)c2)nn(CC=Cc2ccc(Cl)cc2)c1=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 4/20 0.42
PDE4B Q07343 4/20 0.42
PDE4C Q08493 4/20 0.42
PDE4D Q08499 4/20 0.42
DHODH Q02127 1/20 0.42
ABCG2 Q9UNQ0 1/20 0.41
ALDH1A1 P00352 4/20 0.41
HPGD P15428 4/20 0.41
KDM4E B2RXH2 2/20 0.41
KMT2A Q03164 1/20 0.41
PKM P14618 2/20 0.40
USP2 O75604 1/20 0.40
ALOX15 P16050 1/20 0.40
ATM Q13315 1/20 0.40
CYP2C9 P11712 1/20 0.40
HSD17B10 Q99714 2/20 0.39
MAPT P10636 1/20 0.39
MMP1 P03956 1/20 0.39
MCHR1 Q99705 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39

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
SCHEMBL7720176 1.00 PDE4A (0.42) PDE4APDE4BPDE4CPDE4DDHODH
SCHEMBL7724739 0.94 ALDH1A1 (0.43) PDE4APDE4BPDE4CPDE4DDHODH
SCHEMBL7724744 0.94 ALDH1A1 (0.43) PDE4APDE4BPDE4CPDE4DDHODH
SCHEMBL1925169 0.92 ALDH1A1 (0.39) PDE4APDE4BPDE4CPDE4DDHODH
SCHEMBL1925170 0.92 ALDH1A1 (0.39) PDE4APDE4BPDE4CPDE4DDHODH
SCHEMBL7730100 0.92 PDE4A (0.45) PDE4APDE4BPDE4CPDE4DDHODH
SCHEMBL7730103 0.92 PDE4A (0.45) PDE4APDE4BPDE4CPDE4DDHODH
SCHEMBL7726369 0.89 PLA2G2A (0.48) ALDH1A1KDM4EKMT2APKMMAPT
SCHEMBL7726371 0.89 PLA2G2A (0.48) ALDH1A1KDM4EKMT2APKMMAPT
SCHEMBL1925617 0.86 POLB (0.41) ALDH1A1HPGDKDM4EKMT2AMAPT

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