SCHEMBL7053357

SCHEMBL7053357

CCOC(=O)Cc1nnn(CC(C)c2ccccc2)n1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.59
ATM Q13315 1/20 0.59
HSD17B10 Q99714 1/20 0.59
SMN1; SMN2 Q16637 2/20 0.43
TRPV1 Q8NER1 2/20 0.42
CNR2 P34972 2/20 0.41
CNR1 P21554 1/20 0.41
MAPT P10636 1/20 0.40
NPSR1 Q6W5P4 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
LMNA P02545 1/20 0.39
TSHR P16473 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
HTT P42858 1/20 0.39
TRPM8 Q7Z2W7 1/20 0.39
RECQL P46063 1/20 0.39
ALDH1A1 P00352 2/20 0.38

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
SCHEMBL7050253 0.78 ALDH1A1 (0.40) SMN1; SMN2MAPTL3MBTL1LMNATSHR
SCHEMBL18839696 0.76 PKM (0.74) PKMATMHSD17B10SMN1; SMN2CNR2
SCHEMBL14145932 0.76 PKM (0.79) PKMATMHSD17B10SMN1; SMN2MAPT
SCHEMBL4852197 0.75 HPGD (0.62) PKMATMHSD17B10SMN1; SMN2L3MBTL1
SCHEMBL1775696 0.74 PKM (0.63) PKMATMHSD17B10SMN1; SMN2CNR2
SCHEMBL7053350 0.74 HSD17B10 (0.52) PKMATMHSD17B10SMN1; SMN2L3MBTL1
SCHEMBL18623451 0.74 PKM (0.75) PKMATMHSD17B10SMN1; SMN2MAPT
SCHEMBL7281705 0.72 HSD17B10 (0.52) PKMATMHSD17B10SMN1; SMN2MAPT
SCHEMBL2442865 0.71 HSD17B10 (0.71) PKMATMHSD17B10SMN1; SMN2MAPT
SCHEMBL1778197 0.71 HSD17B10 (0.61) PKMATMHSD17B10SMN1; SMN2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1301474-A2 TYROSINE DERIVATIVES AS PHOSPHATASE INHIBITORS Array Biopharma Inc. (US) 2003-04-16 EP disclosed
WO-2002004412-A2 TYROSINE DERIVATIVES AS PHOSPHATASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2002-01-17 WO disclosed