SCHEMBL7860431

SCHEMBL7860431

CCOC(=O)c1cnn(-c2ccc(OCC(C)(C)C)c(C#N)c2)c1Cl

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
XDH P47989 2/20 0.54
HTT P42858 2/20 0.45
ALDH1A1 P00352 5/20 0.42
KDM4E B2RXH2 2/20 0.42
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
TSHR P16473 1/20 0.41
POLB P06746 2/20 0.40
RECQL P46063 1/20 0.40
TP53 P04637 1/20 0.39
HPGD P15428 1/20 0.39
MEN1 O00255 1/20 0.39
LMNA P02545 1/20 0.39
GAA P10253 1/20 0.39
KMT2A Q03164 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39

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
SCHEMBL7860451 0.89 ALDH1A1 (0.56) XDHHTTALDH1A1KDM4ERAB9A
SCHEMBL5419342 0.88 XDH (0.63) XDH
SCHEMBL7861833 0.87 XDH (0.46) XDHHTTALDH1A1KDM4E
SCHEMBL7861685 0.79 XDH (0.78) XDH
SCHEMBL5404259 0.79 XDH (0.63) XDH
SCHEMBL6052323 0.77 XDH (0.47) XDH
SCHEMBL28986730 0.76 NOTUM (0.56) XDH
SCHEMBL7861879 0.76 ALDH1A1 (0.56) XDHHTTALDH1A1KDM4ERAB9A
SCHEMBL7865070 0.75 ALDH1A1 (0.61) HTTALDH1A1KDM4ERAB9ASMN1; SMN2
SCHEMBL7865140 0.75 XDH (0.54) 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