SCHEMBL8608348

SCHEMBL8608348

CSc1ccc(C(=O)C(C#N)C(=O)C(C)(C)C)c(Cl)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.39
ALDH1A1 P00352 2/20 0.39
HSD17B10 Q99714 2/20 0.37
HTT P42858 2/20 0.37
TSHR P16473 2/20 0.37
CYP11B1 P15538 1/20 0.37
CYP11B2 P19099 1/20 0.37
GAA P10253 2/20 0.36
GFER P55789 1/20 0.36
KMT2A Q03164 4/20 0.35
MAPT P10636 4/20 0.35
FLT1 P17948 1/20 0.35
FLT4 P35916 1/20 0.35
KDR P35968 1/20 0.35
MEN1 O00255 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
MAPK1 P28482 1/20 0.34
HPGD P15428 1/20 0.34
LMNA P02545 1/20 0.34

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
SCHEMBL8607601 0.80 HPGD (0.40) KDM4EALDH1A1HSD17B10HTTTSHR
SCHEMBL8607649 0.79 LMNA (0.43) ALDH1A1GAAKMT2AMAPTMEN1
SCHEMBL8109821 0.72 CYP11B1 (0.47) KDM4EALDH1A1HSD17B10HTTTSHR
SCHEMBL3146682 0.69 MCL1 (0.59) KDM4EALDH1A1HSD17B10HTTTSHR
SCHEMBL7867188 0.69 CYP11B1 (0.47) KDM4EALDH1A1HSD17B10HTTTSHR
SCHEMBL3139456 0.65 KDM4E (0.50) KDM4EALDH1A1HSD17B10HTTTSHR
SCHEMBL10001171 0.65 HSD17B10 (0.54) KDM4EALDH1A1HSD17B10HTTTSHR
SCHEMBL8606823 0.65 AR (0.37) ALDH1A1GAAKMT2AMEN1SMN1; SMN2
SCHEMBL3950084 0.65 TSHR (0.32) KDM4EALDH1A1TSHRGAASMN1; SMN2
SCHEMBL3147857 0.64 MAPT (0.62) KDM4EALDH1A1HSD17B10HTTTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5804532-A REACTING A BENZOYL ISOXAZOLE WITH A BASE RHONE-POULENC AGRICULTURE LIMITED (GB) 1998-09-08 US disclosed