SCHEMBL28501428

SCHEMBL28501428

CCCCCCCCCCCCCCC(CCCCCCCCCCCC)Cc1ccc(Br)s1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.37
KDM4E B2RXH2 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
PRSS1 P07477 1/20 0.33
PRSS2 P07478 1/20 0.33
PRSS3 P35030 1/20 0.33
CSNK1E P49674 1/20 0.33
HDAC3 O15379 2/20 0.32
HDAC1 Q13547 2/20 0.32
HDAC2 Q92769 2/20 0.32
HDAC8 Q9BY41 2/20 0.32
HDAC6 Q9UBN7 2/20 0.32
HDAC4 P56524 1/20 0.32
HDAC7 Q8WUI4 1/20 0.32
HDAC10 Q969S8 1/20 0.32
HDAC11 Q96DB2 1/20 0.32
HDAC9 Q9UKV0 1/20 0.32
HDAC5 Q9UQL6 1/20 0.32
ALDH1A1 P00352 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL18694159 1.00 LMNA (0.37) LMNAKDM4ETDP1PRSS1PRSS2
SCHEMBL27926938 0.88 LMNA (0.43) LMNAPRSS1PRSS2PRSS3CSNK1E
SCHEMBL28212515 0.87 ALDH1A1 (0.37) LMNAKDM4ETDP1ALDH1A1L3MBTL1
SCHEMBL18782959 0.86 LMNA (0.42) LMNATDP1PRSS1PRSS2PRSS3
SCHEMBL31424087 0.83 LMNA (0.39) LMNATDP1PRSS1PRSS2PRSS3
SCHEMBL18590813 0.81 PRMT6 (0.39) LMNAPRSS1PRSS2PRSS3CSNK1E
SCHEMBL29156641 0.81 PRSS1 (0.40) LMNAKDM4ETDP1PRSS1PRSS2
SCHEMBL18590816 0.81 PRMT6 (0.39) LMNAPRSS1PRSS2PRSS3CSNK1E
SCHEMBL29156640 0.80 LMNA (0.37) LMNAPRSS1PRSS2PRSS3CSNK1E
SCHEMBL22361407 0.80 LMNA (0.37) LMNAPRSS1PRSS2PRSS3CSNK1E

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-111892696-A Dithienobenzene fused ring quinoxaline conjugated polymer and preparation method and application thereof 华南理工大学 2020-11-06 CN disclosed