SCHEMBL789198

SCHEMBL789198

c1csc(Nc2ccc3occc3c2)n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G7 Q13093 1/20 0.48
PRKD1 Q15139 1/20 0.41
DYRK1A Q13627 3/20 0.40
SYK P43405 1/20 0.39
CYP1A1 P04798 5/20 0.38
CYP1A2 P05177 5/20 0.38
CYP1B1 Q16678 5/20 0.38
BUB1 O43683 1/20 0.38
MAPT P10636 2/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HSD17B10 Q99714 1/20 0.36
PARP14 Q460N5 1/20 0.36
CDK9 P50750 1/20 0.36
ALDH1A1 P00352 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
CA12 O43570 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35

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
SCHEMBL27924011 0.89 DYRK1A (0.52) PLA2G7DYRK1ACDK9CA12CA2
SCHEMBL8906815 0.72 PLA2G7 (0.59) PLA2G7SYKCYP1A1CYP1A2CYP1B1
SCHEMBL20529581 0.70 PLA2G7 (0.70) PLA2G7CYP1A2MAPTNPC1RAB9A
SCHEMBL28151503 0.70 MAPT (0.64) PLA2G7CYP1A1CYP1A2CYP1B1MAPT
SCHEMBL13153074 0.70 CYP2A6 (0.46) PRKD1DYRK1ACDK9NAMPT
SCHEMBL23370795 0.68 RAB9A (0.42) MAPTNPC1RAB9ASMN1; SMN2HSD17B10
SCHEMBL27630368 0.68 PLA2G7 (0.55) PLA2G7CYP1A2NPC1RAB9ASMN1; SMN2
SCHEMBL1602410 0.68 HTR1B (0.44) DYRK1ACDK9
SCHEMBL3053636 0.67 SYK (0.54) PLA2G7SYKCYP1A1CYP1A2CYP1B1
SCHEMBL2981886 0.67 ALDH1A1 (0.61) PLA2G7SYKCYP1A1CYP1A2CYP1B1

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-2012037349-A2 COMPOUNDS GLAXOSMITHKLINE LLC (US) 2012-03-22 WO disclosed