SCHEMBL28634656

SCHEMBL28634656

O=C1CC(=O)c2sc3ccccc3c(=O)c2C1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.39
TDP1 Q9NUW8 2/20 0.38
HPGD P15428 2/20 0.38
GPR3 P46089 1/20 0.38
ALDH1A1 P00352 5/20 0.36
MAPT P10636 5/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
POLB P06746 3/20 0.36
LMNA P02545 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
MAPK1 P28482 1/20 0.36
RECQL P46063 1/20 0.36
BLM P54132 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
SAE1 Q9UBE0 1/20 0.36

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
SCHEMBL23338713 0.72 GPR3 (0.43) KDM4ETDP1HPGDGPR3ALDH1A1
SCHEMBL1393409 0.72 GPR3 (0.43) KDM4ETDP1HPGDGPR3ALDH1A1
SCHEMBL23878721 0.69 HSD17B10 (0.45) KDM4EGPR3ALDH1A1MAPTMAOA
SCHEMBL36332 0.69 GPR3 (0.68) KDM4ETDP1HPGDGPR3ALDH1A1
SCHEMBL30515127 0.69 GPR3 (0.68) KDM4ETDP1HPGDGPR3ALDH1A1
SCHEMBL10476774 0.69 GPR3 (0.68) KDM4ETDP1HPGDGPR3ALDH1A1
SCHEMBL29374932 0.69 GPR3 (0.68) KDM4ETDP1HPGDGPR3ALDH1A1
SCHEMBL9160474 0.69 GPR3 (0.68) KDM4ETDP1HPGDGPR3ALDH1A1
SCHEMBL4696033 0.69 GPR3 (0.68) KDM4ETDP1HPGDGPR3ALDH1A1
SCHEMBL12013258 0.68 GPR3 (0.52) HPGDGPR3ALDH1A1MAPTL3MBTL1

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
CN-113440418-A Dental polymerizable composition 株式会社GC 2021-09-28 CN disclosed