SCHEMBL7723102

SCHEMBL7723102

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

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 4/20 0.54
GABRG2 P18507 5/20 0.54
GABRB3 P28472 5/20 0.54
GABRA3 P34903 5/20 0.54
GABRA2 P47869 4/20 0.54
GABRA1 P14867 3/20 0.54
GABRA5 P31644 2/20 0.54
KDM4E B2RXH2 2/20 0.54
CYP1A2 P05177 1/20 0.54
CYP2D6 P10635 1/20 0.54
CYP2C9 P11712 1/20 0.54
CYP2C19 P33261 1/20 0.54
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
LMNA P02545 1/20 0.49
ALPL P05186 1/20 0.49
MAPT P10636 1/20 0.49
KLK7 P49862 1/20 0.47
PHGDH O43175 1/20 0.46

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
SCHEMBL7720232 0.87 MAPT (0.54) KDM4ENPC1RAB9ASMN1; SMN2LMNA
SCHEMBL7723469 0.87 JAK2 (0.52) PLA2G2AGABRG2GABRB3GABRA3GABRA2
SCHEMBL7723532 0.84 GABRG2 (0.49) PLA2G2AGABRG2GABRB3GABRA3GABRA2
SCHEMBL7720344 0.83 PLA2G2A (0.51) PLA2G2AGABRG2GABRB3GABRA3GABRA2
SCHEMBL2730507 0.82 PHGDH (0.58) PLA2G2AKDM4ECYP1A2CYP2D6CYP2C9
SCHEMBL7723580 0.80 KDM4E (0.56) PLA2G2AGABRG2GABRB3GABRA3GABRA2
SCHEMBL7730130 0.79 PLA2G2A (0.47) PLA2G2AGABRG2GABRB3GABRA3GABRA2
SCHEMBL7720189 0.79 TACR3 (0.58) NPC1RAB9ASMN1; SMN2MAPTPHGDH
SCHEMBL1375300 0.79 NPC1 (0.48) KDM4ENPC1RAB9ASMN1; SMN2LMNA
SCHEMBL7720271 0.78 MAPT (0.64) 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