SCHEMBL7865140

SCHEMBL7865140

CC(C)COc1ccc(-n2ncc(C(=O)O)c2Cl)cc1C#N

nearest known ligand 0.63

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
XDH P47989 8/20 0.54
SLC22A12 Q96S37 1/20 0.54
ABCC4 O15439 1/20 0.47
ABCB11 O95342 1/20 0.47
PGR P06401 1/20 0.47
CHRM1 P11229 1/20 0.47
PDE4A P27815 1/20 0.47
BLVRB P30043 1/20 0.47
TARBP2 Q15633 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
ABCG2 Q9UNQ0 1/20 0.47

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
SCHEMBL7861833 0.88 XDH (0.46) XDHSLC22A12ABCC4ABCB11PGR
SCHEMBL5407349 0.88 XDH (0.54) XDHSLC22A12ABCC4ABCB11PGR
SCHEMBL5419342 0.86 XDH (0.63) XDH
SCHEMBL7861879 0.79 ALDH1A1 (0.56) XDH
SCHEMBL5419378 0.77 XDH (0.74) XDH
SCHEMBL7854977 0.75 XDH (0.53) XDHSLC22A12
SCHEMBL7860431 0.75 XDH (0.54) XDH
SCHEMBL29771374 0.74 XDH (0.54) XDHSLC22A12ABCC4ABCB11PGR
SCHEMBL30267879 0.74 XDH (0.57) XDH
SCHEMBL8202675 0.74 XDH (0.57) XDHSLC22A12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1105708-C 1-phenylpyrazole compounds and pharmaceutical use thereof EFUKU CO LTD (JP) 2003-04-16 CN disclosed
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
CN-1240432-A 1-phenylpyrazole compounds and medicinal application thereof YOSHITOMI PHARMACEUTICAL (JP) 2000-01-05 CN disclosed
EP-0936217-A1 1-PHENYLPYRAZOLE COMPOUNDS AND MEDICINAL APPLICATION THEREOF YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1999-08-18 EP disclosed