SCHEMBL7723619

SCHEMBL7723619

COC(=O)c1cc(-c2ccc(OC)cc2)nn(Cc2cccnc2)c1=O

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.54
TDP1 Q9NUW8 2/20 0.54
GABRG2 P18507 3/20 0.54
GABRB3 P28472 3/20 0.54
GABRA3 P34903 3/20 0.54
GABRA1 P14867 2/20 0.54
GABRA2 P47869 2/20 0.54
NPC1 O15118 2/20 0.54
RAB9A P51151 2/20 0.54
MAPT P10636 3/20 0.51
KDM4E B2RXH2 2/20 0.50
SMN1; SMN2 Q16637 1/20 0.46
GABRA5 P31644 1/20 0.45
GAA P10253 2/20 0.45
MARS1 P56192 1/20 0.45
ALDH1A1 P00352 1/20 0.45
MEN1 O00255 1/20 0.45
TP53 P04637 1/20 0.45
HSD17B10 Q99714 1/20 0.45

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
SCHEMBL7720167 0.90 KMT2A (0.53) KMT2ATDP1GABRG2GABRB3GABRA3
SCHEMBL7720271 0.89 MAPT (0.64) KMT2ATDP1GABRG2GABRB3GABRA3
SCHEMBL7726291 0.86 SMN1; SMN2 (0.55) KMT2ATDP1GABRG2GABRB3GABRA3
SCHEMBL7720244 0.82 MAPT (0.51) KMT2AGABRG2GABRB3GABRA3GABRA1
SCHEMBL7720344 0.81 PLA2G2A (0.51) GABRG2GABRB3GABRA3GABRA1GABRA2
SCHEMBL7723670 0.80 MAPT (0.63) KMT2ATDP1MAPTKDM4ESMN1; SMN2
SCHEMBL7724966 0.80 MAPT (0.76) TDP1MAPTKDM4ESMN1; SMN2ALDH1A1
SCHEMBL7726400 0.79 MAPT (0.68) KMT2AMAPTKDM4ESMN1; SMN2ALDH1A1
SCHEMBL7724767 0.79 NPC1 (0.54) KMT2AGABRG2GABRB3GABRA3GABRA1
SCHEMBL7723532 0.79 GABRG2 (0.49) GABRG2GABRB3GABRA3GABRA1GABRA2

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