SCHEMBL7860397

SCHEMBL7860397

CCCCCOc1ccc(-n2cc(C(=O)OCC)cn2)cc1C#N

nearest known ligand 0.79

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
XDH P47989 1/20 0.58
ALDH1A1 P00352 1/20 0.53
HPGD P15428 1/20 0.53
SCN9A Q15858 1/20 0.52

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
SCHEMBL7860437 0.99 XDH (0.57) XDHALDH1A1HPGDSCN9A
SCHEMBL7865106 0.97 XDH (0.59) XDHALDH1A1HPGDSCN9A
SCHEMBL859323 0.89 XDH (0.73) XDHALDH1A1HPGD
SCHEMBL7865239 0.89 XDH (0.56) XDHSCN9A
SCHEMBL7861730 0.88 XDH (0.71) XDHALDH1A1HPGD
SCHEMBL7865160 0.87 XDH (0.58) XDHSCN9A
SCHEMBL7861685 0.86 XDH (0.78) XDHSCN9A
SCHEMBL5415067 0.86 XDH (0.58) XDHSCN9A
SCHEMBL5412922 0.86 XDH (0.74) XDHALDH1A1HPGD
SCHEMBL7861706 0.85 XDH (0.57) XDHSCN9A

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