SCHEMBL28671981

SCHEMBL28671981

CCSc1cc(C=O)c(SCC)cc1C=O

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.48
LMNA P02545 2/20 0.38
ERN1 O75460 2/20 0.33
PRKDC P78527 1/20 0.33
AOC3 Q16853 1/20 0.32
TDP1 Q9NUW8 3/20 0.32
TSHR P16473 2/20 0.32
KDM4E B2RXH2 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
MEN1 O00255 1/20 0.31
THRB P10828 1/20 0.31
BLM P54132 1/20 0.31
KMT2A Q03164 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
SCHEMBL16666323 0.80 TDP1 (0.52) ALDH1A1LMNAERN1TDP1KDM4E
SCHEMBL2798653 0.80 ALDH1A1 (0.41) ALDH1A1LMNATDP1L3MBTL1
SCHEMBL16528202 0.78 ERN1 (0.47) ALDH1A1LMNAERN1PRKDCTSHR
SCHEMBL27140027 0.78 ALDH1A1 (0.40) ALDH1A1ERN1TDP1KDM4EL3MBTL1
SCHEMBL28470181 0.78 ALDH1A1 (0.40) ALDH1A1ERN1TDP1
SCHEMBL27993122 0.78 ERN1 (0.43) ALDH1A1LMNAERN1PRKDCTDP1
SCHEMBL2801460 0.76 LMNA (0.48) ALDH1A1LMNAERN1TDP1TSHR
SCHEMBL15363239 0.74 NPC1 (0.43) ALDH1A1LMNAERN1KDM4EL3MBTL1
SCHEMBL9952937 0.74 DDR1 (0.42) ALDH1A1LMNAKDM4EL3MBTL1BLM
SCHEMBL15777269 0.74 ALDH1A1 (0.37) ALDH1A1TSHRMEN1KMT2A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113896849-B Thioether-functionalized porphyrin-structured porous organic polymer, preparation method thereof and application thereof in adsorption of heavy metals in water 中南大学 2022-09-27 CN claimed
CN-113896849-A Thioether-functionalized porphyrin-structured porous organic polymer, preparation method thereof and application thereof in adsorption of heavy metals in water 中南大学 2022-01-07 CN claimed
CN-113896849-B Thioether-functionalized porphyrin-structured porous organic polymer, preparation method thereof and application thereof in adsorption of heavy metals in water 中南大学 2022-09-27 CN disclosed
CN-113896849-A Thioether-functionalized porphyrin-structured porous organic polymer, preparation method thereof and application thereof in adsorption of heavy metals in water 中南大学 2022-01-07 CN disclosed