SCHEMBL9003659

SCHEMBL9003659

CC(C)(C)[B-](c1ccccc1)(c1ccccc1)c1ccccc1.COc1ccc(C(=O)C[S+](c2ccc(C)cc2)c2ccc(C)cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.45
NPSR1 Q6W5P4 2/20 0.45
HTT P42858 1/20 0.45
NPC1 O15118 4/20 0.42
RAB9A P51151 3/20 0.42
KMT2A Q03164 4/20 0.41
LMNA P02545 4/20 0.40
ALDH1A1 P00352 2/20 0.40
MAPT P10636 2/20 0.40
HSD11B1 P28845 1/20 0.40
ALOX15 P16050 1/20 0.40
APEX1 P27695 1/20 0.40
MAPK1 P28482 1/20 0.40
RECQL P46063 1/20 0.40
HSD17B10 Q99714 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
SRC P12931 1/20 0.39
MEN1 O00255 3/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
THRB P10828 1/20 0.39

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
SCHEMBL9003317 0.86 MEN1 (0.46) SMN1; SMN2HTTRAB9AKMT2AALDH1A1
SCHEMBL9003649 0.76 KMT2A (0.59) SMN1; SMN2HTTNPC1RAB9AKMT2A
SCHEMBL9003338 0.74 NPC1 (0.43) NPC1RAB9AKMT2AHSD11B1MEN1
SCHEMBL8757228 0.71 MAPT (0.40) SMN1; SMN2NPSR1NPC1RAB9AKMT2A
Perchlorate SCHEMBL8752338 0.71 KMT2A (0.53) SMN1; SMN2HTTNPC1RAB9AKMT2A
SCHEMBL8074580 0.71 RECQL (0.52) NPC1RAB9AKMT2ALMNAALDH1A1
SCHEMBL8757183 0.69 MAPT (0.44) HTTNPC1RAB9AKMT2ALMNA
SCHEMBL7631387 0.67 NPC1 (0.69) SMN1; SMN2NPSR1HTTNPC1RAB9A
SCHEMBL9003615 0.67 RAB9A (0.50) SMN1; SMN2NPSR1NPC1RAB9AKMT2A
SCHEMBL9003684 0.67 KMT2A (0.44) SMN1; SMN2HTTNPC1RAB9AKMT2A

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-5500453-A INITIATOR FOR PHOTOSENSITIVE FREE RADICAL CURING/ POLYMERIZATION OF UNSATURATED COMPOUNDS TOYO INK MANUFACTURING CO., LTD. (JP) 1996-03-19 US disclosed