SCHEMBL28479224

SCHEMBL28479224

Cc1ccccc1CSSCc1ccc(OC(=O)c2ccccc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 8/20 0.50
ALDH1A1 P00352 5/20 0.50
PKM P14618 1/20 0.50
MAPT P10636 9/20 0.47
KDM4E B2RXH2 2/20 0.47
LMNA P02545 2/20 0.47
TDP1 Q9NUW8 3/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
PARP10 Q53GL7 1/20 0.46
HPGD P15428 3/20 0.43
MEN1 O00255 4/20 0.42
GLA P06280 1/20 0.42
HSP90AA1 P07900 1/20 0.42
RAB9A P51151 1/20 0.42

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
SCHEMBL756535 0.90 MAPT (0.53) KMT2AALDH1A1PKMMAPTKDM4E
SCHEMBL28844904 0.82 MAPT (0.56) KMT2AALDH1A1MAPTKDM4ELMNA
SCHEMBL28901835 0.77 MAOB (0.54) KMT2AALDH1A1MAPTKDM4ELMNA
SCHEMBL28153865 0.77 KMT2A (0.52) KMT2AALDH1A1PKMMAPTKDM4E
SCHEMBL24110191 0.76 LMNA (0.49) KMT2AALDH1A1MAPTKDM4ELMNA
SCHEMBL28687523 0.75 LMNA (0.51) ALDH1A1MAPTKDM4ELMNAL3MBTL1
SCHEMBL4905240 0.75 KMT2A (0.62) KMT2AALDH1A1PKMMAPTKDM4E
SCHEMBL756534 0.74 KMT2A (0.47) KMT2AALDH1A1PKMMAPTKDM4E
SCHEMBL28473257 0.74 KEAP1 (0.47) ALDH1A1MAPTKDM4ELMNAHPGD
SCHEMBL12199140 0.73 PARP10 (0.62) KMT2AALDH1A1PKMMAPTKDM4E

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-111902747-A Method for forming cured film and curable composition JSR株式会社 2020-11-06 CN disclosed