SCHEMBL455952

SCHEMBL455952

C[C]1CC(c2ccccc2)=CC=C1I

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.34
ALDH1A1 P00352 2/20 0.31
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
CYP1A2 P05177 1/20 0.31
CHRM2 P08172 1/20 0.31
CYP3A4 P08684 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
CHRM1 P11229 1/20 0.31
TSHR P16473 1/20 0.31
PTGS1 P23219 1/20 0.31
DRD3 P35462 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
SIGMAR1 Q99720 1/20 0.31
CFTR P13569 1/20 0.30
GOPC Q9HD26 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL455859 0.76 APP (0.31) APPALDH1A1SIGMAR1CFTRGOPC
SCHEMBL458235 0.76 ALDH1A1 (0.33) APPALDH1A1KDM4EMAPTSIGMAR1
SCHEMBL458387 0.76 ALDH1A1 (0.33) ALDH1A1MEN1MAPTTSHRKMT2A
SCHEMBL3982745 0.75 ALDH1A1 (0.47) ALDH1A1KDM4ECYP1A2CYP3A4MAPT
SCHEMBL21625337 0.72 NPC1 (0.45) APPALDH1A1KDM4EMEN1MAPT
SCHEMBL458342 0.72 CHRM2 (0.33) CHRM2CHRM1
SCHEMBL455470 0.71 HPGD (0.32) ALDH1A1KDM4EGAAMAPTTSHR
SCHEMBL7823302 0.69 ALDH1A1 (0.37) ALDH1A1MEN1GAAMAPTKMT2A
SCHEMBL456779 0.68 TP53 (0.31)
SCHEMBL455737 0.68 CYP1A2 (0.33) ALDH1A1CYP1A2SIGMAR1CFTRGOPC

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2614053-A1 METHOD FOR PRODUCING PYRIDAZINONE COMPOUNDS AND INTERMEDIATE THEREOF SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2013-07-17 EP disclosed
WO-2012033225-A1 METHOD FOR PRODUCING PYRIDAZINONE COMPOUNDS AND INTERMEDIATE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-03-15 WO disclosed