SCHEMBL7865070

SCHEMBL7865070

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

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.61
RAB9A P51151 3/20 0.61
TSHR P16473 3/20 0.60
SMN1; SMN2 Q16637 2/20 0.60
HTT P42858 2/20 0.59
HPGD P15428 2/20 0.58
MAPT P10636 6/20 0.58
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
KDM4E B2RXH2 4/20 0.51
POLB P06746 1/20 0.51
RECQL P46063 1/20 0.51
TP53 P04637 2/20 0.49
NPC1 O15118 3/20 0.49
HSD17B10 Q99714 1/20 0.46

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 0.87 ALDH1A1 (0.56) ALDH1A1RAB9ATSHRSMN1; SMN2HTT
SCHEMBL7861879 0.87 ALDH1A1 (0.56) ALDH1A1RAB9ATSHRSMN1; SMN2HTT
SCHEMBL31117196 0.80 HTT (0.72) ALDH1A1RAB9ATSHRSMN1; SMN2HTT
SCHEMBL4161763 0.80 HTT (0.72) ALDH1A1RAB9ATSHRSMN1; SMN2HTT
SCHEMBL1356015 0.79 ALDH1A1 (0.79) ALDH1A1RAB9ATSHRSMN1; SMN2HTT
SCHEMBL31117062 0.79 RAB9A (0.74) ALDH1A1RAB9ATSHRSMN1; SMN2HTT
SCHEMBL31117203 0.79 RAB9A (0.74) ALDH1A1RAB9ATSHRSMN1; SMN2HTT
SCHEMBL1353689 0.78 HTT (0.77) ALDH1A1RAB9ATSHRSMN1; SMN2HTT
SCHEMBL31117075 0.78 HTT (0.77) ALDH1A1RAB9ATSHRSMN1; SMN2HTT
SCHEMBL26978013 0.77 ALDH1A1 (1.00) ALDH1A1RAB9ATSHRSMN1; SMN2HTT

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