SCHEMBL28768034

SCHEMBL28768034

C1=Cc2cccc3cccc(c23)C1.c1csc(-c2ccsc2-c2cccs2)c1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PABPC1 P11940 1/20 0.37
DNMT1 P26358 1/20 0.37
MAOB P27338 1/20 0.32
HTR1A P08908 2/20 0.30
HTR7 P34969 2/20 0.30
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
MAPT P10636 1/20 0.30
HPGD P15428 1/20 0.30
KMT2A Q03164 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL29376031 0.76 TSHR (0.43) KDM4EALDH1A1HPGDL3MBTL1
SCHEMBL27642275 0.76 TSHR (0.43) KDM4EALDH1A1HPGDL3MBTL1
SCHEMBL7712 0.76 TSHR (0.43) KDM4EALDH1A1HPGDL3MBTL1
SCHEMBL7432807 0.76 TSHR (0.43) KDM4EALDH1A1HPGDL3MBTL1
SCHEMBL17685497 0.76 TSHR (0.43) KDM4EALDH1A1HPGDL3MBTL1
SCHEMBL27642281 0.76 TSHR (0.43) KDM4EALDH1A1HPGDL3MBTL1
SCHEMBL27642594 0.76 TSHR (0.43) KDM4EALDH1A1HPGDL3MBTL1
SCHEMBL29555130 0.76 TSHR (0.43) KDM4EALDH1A1HPGDL3MBTL1
Hydrogen Sulfide SCHEMBL23071424 0.74 TSHR (0.41) KDM4EALDH1A1HPGDL3MBTL1
Water SCHEMBL9418700 0.74 CA1 (0.42) KDM4EALDH1A1MAPTHPGDL3MBTL1

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-114684815-A Method for repairing structural defects of graphene 南通普朗克石墨烯科技有限公司 2022-07-01 CN disclosed