SCHEMBL9928722

SCHEMBL9928722

CCOc1cccc([SnH])n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 1/20 0.49
BTK Q06187 1/20 0.45
ALDH1A1 P00352 2/20 0.38
NPC1 O15118 1/20 0.38
MAPK1 P28482 1/20 0.38
RAB9A P51151 1/20 0.38
ADORA1 P30542 3/20 0.36
HTR7 P34969 1/20 0.36
NQO1 P15559 1/20 0.36
GRM5 P41594 1/20 0.36
GABRA1 P14867 2/20 0.35
GABRG2 P18507 2/20 0.35
GABRB3 P28472 2/20 0.35
GABRA5 P31644 2/20 0.35
GABRA3 P34903 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TP53 P04637 1/20 0.34
CYP3A4 P08684 1/20 0.34
MAPT P10636 1/20 0.34
ADORA2A P29274 2/20 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
SCHEMBL2525163 0.84 MAPK8 (0.56) MAPK8BTKALDH1A1NPC1MAPK1
SCHEMBL1671304 0.79 MAPK8 (0.49) MAPK8BTKALDH1A1NPC1MAPK1
SCHEMBL30271358 0.79 MAPK8 (0.49) MAPK8BTKALDH1A1NPC1MAPK1
SCHEMBL16511922 0.78 BTK (0.65) MAPK8BTKALDH1A1NPC1MAPK1
SCHEMBL130392 0.77 MAPK8 (0.50) MAPK8BTKALDH1A1NPC1MAPK1
SCHEMBL12093509 0.77 GRM5 (0.50) MAPK8BTKALDH1A1NPC1MAPK1
SCHEMBL1763356 0.76
SCHEMBL25097014 0.75 MAPK8 (0.49) MAPK8BTKALDH1A1NPC1MAPK1
SCHEMBL7161 0.75 HTR7 (0.61) MAPK8BTKALDH1A1NPC1MAPK1
SCHEMBL9928723 0.75 MAPK8 (0.49) MAPK8BTKALDH1A1NPC1MAPK1

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-8202984-B2 Glucopyranoside compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-06-19 US disclosed