SCHEMBL8008541

SCHEMBL8008541

CC(=O)n1c(SCc2nccc(SCc3ccco3)c2C)nc2ccccc21

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.41
HPGD P15428 2/20 0.41
PTGDR2 Q9Y5Y4 2/20 0.40
TSHR P16473 3/20 0.40
PSMD14 O00487 1/20 0.39
GAA P10253 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
POLB P06746 1/20 0.39
MAPT P10636 1/20 0.39
PKM P14618 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
GFER P55789 1/20 0.38

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
SCHEMBL8008550 0.89 PTGDR2 (0.42) LMNAHPGDPTGDR2TSHRKDM4E
SCHEMBL8015434 0.89 PSMD14 (0.39) LMNAHPGDPTGDR2TSHRPSMD14
SCHEMBL8008406 0.85 LMNA (0.38) LMNAHPGDPTGDR2TSHRKDM4E
SCHEMBL8010563 0.80 HDAC3 (0.47) LMNAHPGDPTGDR2TSHRL3MBTL1
SCHEMBL8008219 0.73 RAB9A (0.56) LMNAHPGDALDH1A1POLBTDP1
SCHEMBL8008533 0.73 ALDH1A1 (0.53) LMNAHPGDTSHRGAAL3MBTL1
SCHEMBL8008921 0.73 PKM (0.43) LMNAHPGDTSHRL3MBTL1KDM4E
SCHEMBL7011260 0.73 NPSR1 (0.40) LMNATSHRKDM4EALDH1A1POLB
Hydrochloric Acid SCHEMBL8308547 0.73 RAB9A (0.55) LMNAHPGDALDH1A1POLBTDP1
SCHEMBL11684745 0.72 HPGD (0.53) LMNAHPGDPTGDR2TSHRPSMD14

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-6107312-A BACTERICIDE BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 2000-08-22 US disclosed