SCHEMBL9726895

SCHEMBL9726895

CCn1ncc(NCc2ccc(OC)cc2)c(Br)c1=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE9A O76083 3/20 0.45
PDE1A P54750 1/20 0.45
PDE1B Q01064 1/20 0.45
PDE1C Q14123 1/20 0.45
GRM2 Q14416 1/20 0.45
MAPK14 Q16539 2/20 0.44
RAB9A P51151 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MEN1 O00255 2/20 0.44
MAPT P10636 2/20 0.44
KMT2A Q03164 2/20 0.44
NPC1 O15118 1/20 0.44
GAA P10253 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
NPBWR1 P48145 3/20 0.43
KDM4E B2RXH2 1/20 0.42
ASPH Q12797 1/20 0.42
RIOX2 Q8IUF8 1/20 0.42
KDM8 Q8N371 1/20 0.42
LMNA P02545 1/20 0.41

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
SCHEMBL9726814 0.82 PDE9A (0.57) PDE9APDE1APDE1BPDE1CGRM2
SCHEMBL9726545 0.80 PDE5A (0.41) SMN1; SMN2MEN1MAPTKMT2AL3MBTL1
SCHEMBL10366265 0.74 BRD4 (0.52) PDE1APDE1BPDE1CGRM2RAB9A
SCHEMBL9777009 0.73 TDP1 (0.49) MAPK14RAB9ASMN1; SMN2MEN1MAPT
SCHEMBL9726529 0.73 PDE9A (0.45) PDE9APDE1APDE1BPDE1CMAPK14
SCHEMBL10680239 0.73 MTNR1B (0.45) SMN1; SMN2MAPTLMNATSHR
SCHEMBL10602679 0.72 NR3C1 (0.44) MAPK14RAB9ASMN1; SMN2MEN1MAPT
SCHEMBL9726516 0.71 PDE9A (0.56) PDE9APDE1APDE1BPDE1CGRM2
SCHEMBL1311870 0.71 NPBWR1 (0.63) PDE1APDE1BPDE1CRAB9ASMN1; SMN2
SCHEMBL9726564 0.71 PDE9A (0.58) PDE9APDE1APDE1BPDE1CGRM2

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
US-5098900-A Reducing contractions in smooth muscles NISSAN CHEMICAL INDUSTRIES LTD. (JP) 1992-03-24 US claimed
EP-0186817-B1 3(2H)PYRIDAZINONE, PROCESS FOR ITS PREPARATION AND ANTI-ALLERGIC AGENT CONTAINING IT NISSAN CHEMICAL INDUSTRIES LTD. (JP) 1989-08-02 EP claimed
EP-0186817-A1 3(2H)pyridazinone, process for its preparation and anti-allergic agent containing it NISSAN CHEMICAL INDUSTRIES LTD. (JP) 1986-07-09 EP claimed