SCHEMBL9602911

SCHEMBL9602911

CC(COc1ccc(-n2nc3c(cc2=O)CCc2ccc(F)cc2-3)cc1)N1CCOCC1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.38
MAPK14 Q16539 4/20 0.36
ATM Q13315 2/20 0.36
AVPR1B P47901 1/20 0.35
ALDH1A1 P00352 1/20 0.34
GAA P10253 1/20 0.34
KMT2A Q03164 1/20 0.34
DRD2 P14416 2/20 0.34
LMNA P02545 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
SLC6A2 P23975 1/20 0.33

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
SCHEMBL9602165 0.91 HRH3 (0.41) HRH3ALDH1A1GAAKMT2ADRD2
SCHEMBL9602428 0.91 HRH3 (0.41) HRH3ALDH1A1GAAKMT2ADRD2
SCHEMBL9602054 0.85 SMN1; SMN2 (0.48) GAAKMT2ALMNASMN1; SMN2
SCHEMBL9602093 0.83 HRH3 (0.39) HRH3MAPK14ALDH1A1GAAKMT2A
SCHEMBL9601997 0.83 HRH3 (0.39) HRH3MAPK14ALDH1A1GAAKMT2A
SCHEMBL9601550 0.82 HRH3 (0.40) HRH3MAPK14ALDH1A1GAAKMT2A
SCHEMBL9873107 0.81 HRH3 (0.38) HRH3MAPK14ALDH1A1GAAKMT2A
Iodide SCHEMBL10445026 0.81 HRH3 (0.37) HRH3MAPK14ALDH1A1GAAKMT2A
SCHEMBL9602957 0.79 PTGS1 (0.42) KMT2ALMNASLC6A2
SCHEMBL9603116 0.79 CYP2D6 (0.41) MAPK14KMT2A

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