SCHEMBL9601550

SCHEMBL9601550

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

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.40
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
KMT2A Q03164 1/20 0.36
NR3C1 P04150 1/20 0.36
MAPK14 Q16539 3/20 0.33
NPY5R Q15761 2/20 0.33
MAPK13 O15264 1/20 0.33
HSPB1 P04792 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2B P41595 1/20 0.33
MAPK12 P53778 1/20 0.33
MAPK11 Q15759 1/20 0.33
TMEM97 Q5BJF2 1/20 0.33
PTGS2 P35354 1/20 0.33
AOC3 Q16853 1/20 0.32
DRD2 P14416 1/20 0.32
MCHR1 Q99705 1/20 0.32

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
SCHEMBL9601997 0.92 HRH3 (0.39) HRH3ALDH1A1GAAKMT2ANR3C1
SCHEMBL9602093 0.86 HRH3 (0.39) HRH3ALDH1A1GAAKMT2AMAPK14
SCHEMBL9602957 0.86 PTGS1 (0.42) KMT2A
SCHEMBL9867239 0.86 HRH3 (0.39) HRH3DRD2MCHR1
SCHEMBL9602165 0.85 HRH3 (0.41) HRH3ALDH1A1GAAKMT2ADRD2
Fumaric Acid SCHEMBL9866109 0.85 HRH3 (0.37) HRH3ALDH1A1GAAKMT2ANR3C1
SCHEMBL9873107 0.84 HRH3 (0.38) HRH3ALDH1A1GAAKMT2AMAPK14
SCHEMBL9602428 0.84 HRH3 (0.41) HRH3ALDH1A1GAAKMT2ADRD2
Iodide SCHEMBL10445026 0.84 HRH3 (0.37) HRH3ALDH1A1GAAKMT2AMAPK14
SCHEMBL9602367 0.83 ATM (0.47) KMT2ADRD2

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