SCHEMBL9602724

SCHEMBL9602724

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.46
MAPT P10636 4/20 0.44
GAA P10253 4/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
KMT2A Q03164 2/20 0.44
POLB P06746 2/20 0.44
MEN1 O00255 1/20 0.44
APEX1 P27695 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
THRB P10828 1/20 0.43
RECQL P46063 1/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
LMNA P02545 1/20 0.43
OPRK1 P41145 1/20 0.43
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
PDE4A P27815 3/20 0.43
PDE4B Q07343 3/20 0.43
PDE4C Q08493 3/20 0.43

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
SCHEMBL9602497 0.84 ALDH1A1 (0.43) ALDH1A1GAAKMT2ALMNASMN1; SMN2
SCHEMBL10365902 0.84 ALDH1A1 (0.46) ALDH1A1MAPTGAAL3MBTL1KMT2A
SCHEMBL10365979 0.84 ALDH1A1 (0.50) ALDH1A1MAPTGAAKMT2AMEN1
SCHEMBL9602782 0.84 HRH3 (0.42) ALDH1A1MAPTGAAL3MBTL1KMT2A
SCHEMBL9602082 0.82 HRH3 (0.45) ALDH1A1GAAKMT2ASMN1; SMN2MAPK14
SCHEMBL9601997 0.82 HRH3 (0.39) ALDH1A1GAAKMT2AMAPK14HRH3
SCHEMBL9602093 0.82 HRH3 (0.39) ALDH1A1GAAKMT2AMEN1MAPK14
SCHEMBL9865213 0.82 HRH3 (0.37) ALDH1A1MAPTGAAKMT2AMEN1
SCHEMBL9601550 0.81 HRH3 (0.40) ALDH1A1GAAKMT2AMAPK14HRH3
SCHEMBL9873107 0.80 HRH3 (0.38) ALDH1A1GAAKMT2AMEN1MAPK14

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