SCHEMBL7861730

SCHEMBL7861730

CCCCCCOc1ccc(-n2cc(C(=O)O)cn2)cc1C#N

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
XDH P47989 1/20 0.71
ALDH1A1 P00352 1/20 0.67
HPGD P15428 1/20 0.67

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
SCHEMBL859323 0.99 XDH (0.73) XDHALDH1A1HPGD
SCHEMBL5412922 0.96 XDH (0.74) XDHALDH1A1HPGD
SCHEMBL7860437 0.89 XDH (0.57) XDHALDH1A1HPGD
SCHEMBL7860397 0.88 XDH (0.58) XDHALDH1A1HPGD
SCHEMBL5412822 0.86 XDH (0.71) XDH
SCHEMBL7865106 0.85 XDH (0.59) XDHALDH1A1HPGD
SCHEMBL5414808 0.84 XDH (0.71) XDH
SCHEMBL5419378 0.83 XDH (0.74) XDH
SCHEMBL440021 0.83 XDH (1.00) XDH
SCHEMBL29693309 0.83 XDH (1.00) XDH

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-0936217-B1 1-PHENYLPYRAZOLE COMPOUNDS AND MEDICINAL APPLICATION THEREOF WELFIDE CORP (JP) 2001-11-07 EP disclosed
US-6015829-A 1-phenylpyrazole compounds and medicinal application thereof YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 2000-01-18 US disclosed
EP-0936217-A1 1-PHENYLPYRAZOLE COMPOUNDS AND MEDICINAL APPLICATION THEREOF YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1999-08-18 EP disclosed