SCHEMBL9602848

SCHEMBL9602848

CC(COc1cccc(-n2nc3c(cc2=O)CCc2ccc(F)cc2-3)c1)N(C)C

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.40
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
KMT2A Q03164 1/20 0.38
TOP1 P11387 1/20 0.34
MAPK14 Q16539 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
SCHEMBL9602093 0.91 HRH3 (0.39) HRH3ALDH1A1GAAKMT2ATOP1
Fumaric Acid SCHEMBL9602356 0.85 HRH3 (0.37) HRH3ALDH1A1GAAKMT2A
Fumaric Acid SCHEMBL9602362 0.85 HRH3 (0.37) HRH3ALDH1A1GAAKMT2A
SCHEMBL9602008 0.84 ALDH1A1 (0.40) HRH3ALDH1A1GAAKMT2A
SCHEMBL9866493 0.82 HRH3 (0.41) HRH3ALDH1A1GAAKMT2ATOP1
SCHEMBL9601997 0.78 HRH3 (0.39) HRH3ALDH1A1GAAKMT2AMAPK14
SCHEMBL9601550 0.77 HRH3 (0.40) HRH3ALDH1A1GAAKMT2AMAPK14
SCHEMBL10365979 0.77 ALDH1A1 (0.50) HRH3ALDH1A1GAAKMT2A
SCHEMBL9873107 0.76 HRH3 (0.38) HRH3ALDH1A1GAAKMT2AMAPK14
SCHEMBL9602165 0.76 HRH3 (0.41) HRH3ALDH1A1GAAKMT2A

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