SCHEMBL9602782

SCHEMBL9602782

CC(=O)COc1ccc(-n2nc3c(cc2=O)CCc2ccc(F)cc2-3)cc1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.42
KMT2A Q03164 3/20 0.39
ALDH1A1 P00352 3/20 0.39
GAA P10253 3/20 0.39
TDP1 Q9NUW8 1/20 0.37
MEN1 O00255 2/20 0.37
PTAFR P25105 1/20 0.37
RXFP1 Q9HBX9 1/20 0.36
TP53 P04637 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
HSD17B10 Q99714 1/20 0.35
MAPT P10636 2/20 0.34
THRB P10828 1/20 0.34
RECQL P46063 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
POLB P06746 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
SCN9A Q15858 1/20 0.34
DRD2 P14416 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
SCHEMBL9602724 0.84 ALDH1A1 (0.46) HRH3KMT2AALDH1A1GAATDP1
SCHEMBL9602082 0.82 HRH3 (0.45) HRH3KMT2AALDH1A1GAASMN1; SMN2
SCHEMBL9602093 0.82 HRH3 (0.39) HRH3KMT2AALDH1A1GAAMEN1
SCHEMBL9601997 0.82 HRH3 (0.39) HRH3KMT2AALDH1A1GAADRD2
SCHEMBL9601550 0.81 HRH3 (0.40) HRH3KMT2AALDH1A1GAADRD2
SCHEMBL9602497 0.81 ALDH1A1 (0.43) KMT2AALDH1A1GAASMN1; SMN2
SCHEMBL9873107 0.80 HRH3 (0.38) HRH3KMT2AALDH1A1GAAMEN1
SCHEMBL9602957 0.80 PTGS1 (0.42) KMT2ATDP1MEN1MAPT
Fumaric Acid SCHEMBL9866109 0.80 HRH3 (0.37) HRH3KMT2AALDH1A1GAATDP1
Fumaric Acid SCHEMBL9602356 0.80 HRH3 (0.37) HRH3KMT2AALDH1A1GAATDP1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0351435-B1 FUSED PYRIDAZINE COMPOUNDS AND THEIR MEDICINAL USES Yoshitomi Pharmaceutical Industries, Ltd. (JP) 1993-08-04 EP disclosed
US-5045541-A Immunodeficiency disorders YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1991-09-03 US disclosed
EP-0351435-A1 FUSED PYRIDAZINE COMPOUNDS AND THEIR MEDICINAL USES Yoshitomi Pharmaceutical Industries, Ltd. (JP) 1990-01-24 EP disclosed