SCHEMBL7861879

SCHEMBL7861879

CCOC(=O)c1cnn(-c2ccc(OCC(C)C)c(C#N)c2)c1N

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.56
RAB9A P51151 3/20 0.56
SMN1; SMN2 Q16637 3/20 0.55
TSHR P16473 2/20 0.55
HTT P42858 2/20 0.54
HPGD P15428 2/20 0.53
MAPT P10636 5/20 0.51
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
KDM4E B2RXH2 2/20 0.49
POLB P06746 1/20 0.49
RECQL P46063 1/20 0.49
TP53 P04637 2/20 0.48
NPC1 O15118 2/20 0.48
XDH P47989 1/20 0.46
LMNA P02545 1/20 0.44

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 0.89 XDH (0.46) ALDH1A1HTTKDM4EXDH
SCHEMBL5407349 0.88 XDH (0.54) XDH
SCHEMBL7865070 0.87 ALDH1A1 (0.61) ALDH1A1RAB9ASMN1; SMN2TSHRHTT
SCHEMBL7860451 0.87 ALDH1A1 (0.56) ALDH1A1RAB9ASMN1; SMN2TSHRHTT
SCHEMBL5415067 0.79 XDH (0.58) XDH
SCHEMBL7865140 0.79 XDH (0.54) XDH
SCHEMBL31117196 0.76 HTT (0.72) ALDH1A1RAB9ASMN1; SMN2TSHRHTT
SCHEMBL4161763 0.76 HTT (0.72) ALDH1A1RAB9ASMN1; SMN2TSHRHTT
SCHEMBL28986731 0.76 NOTUM (0.56) XDH
SCHEMBL7860431 0.76 XDH (0.54) ALDH1A1RAB9ASMN1; SMN2TSHRHTT

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