SCHEMBL7976213

SCHEMBL7976213

CC(C)(C)OC(=O)NC(Cc1nnnn1CCC#N)c1ccc2c(c1)oc1ccccc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 3/20 0.40
P4HB P07237 4/20 0.38
GAA P10253 3/20 0.38
MAPT P10636 2/20 0.38
POLB P06746 1/20 0.38
ALDH1A1 P00352 4/20 0.37
NAALAD2 Q9Y3Q0 1/20 0.36
NPSR1 Q6W5P4 4/20 0.36
TSHR P16473 3/20 0.36
LMNA P02545 3/20 0.36
PKM P14618 3/20 0.36
HPGD P15428 3/20 0.36
HTT P42858 3/20 0.36
HSD17B10 Q99714 2/20 0.36
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
ALOX15 P16050 1/20 0.36
XBP1 P17861 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CTSS P25774 5/20 0.36

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
SCHEMBL7976208 0.84 GHSR (0.48) GHSRP4HBGAAMAPTPOLB
SCHEMBL7976216 0.84 GHSR (0.48) GHSRP4HBGAAMAPTPOLB
SCHEMBL8920617 0.83 CTSS (0.48) GHSRNAALAD2CTSSCTSKCTSL
SCHEMBL7974057 0.78 GLA (0.34) GHSRMAPTALDH1A1NAALAD2TSHR
SCHEMBL27938378 0.74 NAALAD2 (0.48) GHSRNAALAD2CTSSCTSKCTSL
SCHEMBL8920614 0.70 GHSR (0.58) GHSRMAPTALDH1A1NAALAD2NPSR1
SCHEMBL8921747 0.70 GHSR (0.58) GHSRMAPTALDH1A1NAALAD2NPSR1
SCHEMBL30765576 0.70 LMNA (0.41) P4HBGAAMAPTPOLBALDH1A1
SCHEMBL15764471 0.68 GHSR (0.54) GHSRALDH1A1NAALAD2CTSSCTSK
SCHEMBL21494649 0.68 NAALAD2 (0.73) GHSRNAALAD2CTSSCTSKCTSL

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
WO-2001077095-A2 DERIVATIVES OF ALPHA-MERCAPTOACETAMIDE NOVARTIS AG (CH) 2001-10-18 WO disclosed