SCHEMBL7776530

SCHEMBL7776530

CCc1nn(CC(CN)OC(=O)/C=C/C(=O)OC(CN)Cn2nc(CC)c3ccc(F)cc32)c2cc(F)ccc12

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 6/20 0.37
KDM4C Q9H3R0 1/20 0.32
PTGDR2 Q9Y5Y4 4/20 0.32
ALOX15 P16050 1/20 0.31
PER2 O15055 3/20 0.31
CRY1 Q16526 3/20 0.31
CRY2 Q49AN0 3/20 0.31
HTR2A P28223 2/20 0.31
HTR2C P28335 2/20 0.31
RBP4 P02753 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
SCHEMBL7776527 0.88 SLC22A12 (0.38) SLC22A12PTGDR2ALOX15HTR2AHTR2C
SCHEMBL7777106 0.88 SLC22A12 (0.37) SLC22A12ALOX15HTR2AHTR2C
SCHEMBL7779340 0.87 SLC22A12 (0.36) SLC22A12PTGDR2
Fumaric Acid SCHEMBL5678027 0.78 SLC22A12 (0.45) SLC22A12KDM4CPTGDR2ALOX15HTR2A
Fumaric Acid SCHEMBL5678044 0.78 SLC22A12 (0.45) SLC22A12KDM4CPTGDR2ALOX15HTR2A
SCHEMBL7778328 0.76 ADORA2A (0.34) SLC22A12
SCHEMBL5678034 0.76 PTGDR2 (0.34) SLC22A12PTGDR2HTR2AHTR2CRBP4
SCHEMBL7777139 0.74 SLC22A12 (0.39) SLC22A12HTR2AHTR2C
SCHEMBL7778389 0.73 SLC22A12 (0.35) SLC22A12
Fumaric Acid SCHEMBL5678039 0.71 SLC22A12 (0.47) SLC22A12KDM4CPTGDR2ALOX15

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-1129078-A2 INDAZOLE DERIVATIVES WITH 5-HT2 RECEPTOR ACTIVITY VERNALIS RESEARCH LIMITED (GB) 2001-09-05 EP disclosed
WO-2000012481-A2 INDAZOLE DERIVATIVES WITH 5-HT2 RECEPTOR ACTIVITY________________ VERNALIS RESEARCH LIMITED (GB) 2000-03-09 WO disclosed