SCHEMBL4218372

SCHEMBL4218372

Cc1cccc2c1nnn2CC(O)CO

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.51
RAB9A P51151 3/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
NPC1 O15118 1/20 0.48
GRM2 Q14416 4/20 0.48
ALDH1A1 P00352 3/20 0.43
TDO2 P48775 2/20 0.40
MAPT P10636 5/20 0.39
LMNA P02545 4/20 0.39
TP53 P04637 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
ALOX15 P16050 1/20 0.39
MAPK1 P28482 1/20 0.39
HSD17B10 Q99714 1/20 0.39
HCRTR1 O43613 1/20 0.39
HTT P42858 1/20 0.39
USP2 O75604 1/20 0.37
MDM2 Q00987 1/20 0.37
APAF1 O14727 1/20 0.37
POLB P06746 1/20 0.37

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
SCHEMBL4233106 0.82 GRM2 (0.49) NPSR1NPC1GRM2
SCHEMBL18575583 0.79 GRM2 (0.42) NPSR1RAB9ASMN1; SMN2NPC1GRM2
SCHEMBL17828279 0.76 GRM2 (0.67) NPC1GRM2
SCHEMBL2483181 0.75 GRM2 (0.43) NPSR1RAB9ASMN1; SMN2NPC1GRM2
SCHEMBL437789 0.75 ALDH1A1 (0.65) NPSR1RAB9ASMN1; SMN2NPC1GRM2
SCHEMBL29901097 0.75 GRM2 (0.51) NPC1GRM2
SCHEMBL19911462 0.74 GRM2 (0.47) NPC1GRM2GPR139
SCHEMBL29356302 0.74 GRM2 (0.47) NPC1GRM2
SCHEMBL4083654 0.74 GRM2 (0.47) NPC1GRM2
SCHEMBL19911457 0.73 GRM2 (0.69) NPC1GRM2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8864860-B2 Polishing composition FUJIMI INCORPORATED (JP) 2014-10-21 US claimed
US-8864860-B2 Polishing composition FUJIMI INCORPORATED (JP) 2014-10-21 US disclosed
US-20120153218-A1 POLISHING COMPOSITION FUJIMI INCORPORATED (JP) 2012-06-21 US disclosed
US-20090179172-A1 POLISHING COMPOSITION FUJIMI INCORPORATED (JP) 2009-07-16 US disclosed
US-20090173910-A1 POLISHING COMPOSITION FUJIMI INCORPORATED (JP) 2009-07-09 US disclosed