SCHEMBL9003693

SCHEMBL9003693

CCCC[B-](c1ccccc1)(c1ccccc1)c1ccccc1.N#Cc1ccc(C(=O)C[S+](c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.38
POLB P06746 1/20 0.37
RAB9A P51151 1/20 0.36
HPGD P15428 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34
CTSG P08311 4/20 0.34
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
NPC1 O15118 1/20 0.34
MGLL Q99685 1/20 0.34
CMA1 P23946 3/20 0.34
HTR1A P08908 1/20 0.34
DRD2 P14416 1/20 0.34
HTR2A P28223 1/20 0.34
SLC6A4 P31645 1/20 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
SCHEMBL4139001 0.88 CES1 (0.38) GSK3BRAB9AHPGDSMN1; SMN2L3MBTL1
SCHEMBL9003818 0.85 ALDH1A1 (0.38) GSK3BRAB9AHPGDSMN1; SMN2L3MBTL1
SCHEMBL9003605 0.85 L3MBTL1 (0.40) GSK3BRAB9AHPGDSMN1; SMN2L3MBTL1
SCHEMBL9003338 0.83 NPC1 (0.43) GSK3BRAB9AL3MBTL1KMT2AMEN1
SCHEMBL2330045 0.83 GSK3B (0.53) GSK3BPOLBRAB9AL3MBTL1CA1
SCHEMBL9003388 0.81 GSK3B (0.47) GSK3BPOLBRAB9ASMN1; SMN2L3MBTL1
SCHEMBL9003759 0.80 TSHR (0.39) RAB9ASMN1; SMN2L3MBTL1NPC1
SCHEMBL9003416 0.78 CES2 (0.33) HPGDSMN1; SMN2L3MBTL1KMT2AMEN1
SCHEMBL8757375 0.77 L3MBTL1 (0.38) RAB9AHPGDSMN1; SMN2L3MBTL1KMT2A
SCHEMBL9003519 0.77 PTGS2 (0.35)

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