SCHEMBL28229795

SCHEMBL28229795

Nc1ccc2c(c1)C(=O)c1ccccc1C2=O.O=C(c1cccc2c1Cc1ccccc1S2)c1cccc2c1Cc1ccccc1S2

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.53
KMT2A Q03164 4/20 0.53
MAPT P10636 2/20 0.53
ALDH1A1 P00352 6/20 0.49
NPC1 O15118 3/20 0.49
RAB9A P51151 3/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
TP53 P04637 1/20 0.49
CYP3A4 P08684 1/20 0.49
TSHR P16473 1/20 0.49
MAPK1 P28482 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
BLM P54132 2/20 0.47
HPGD P15428 5/20 0.44
LMNA P02545 3/20 0.44
PTPRC P08575 2/20 0.44
HTT P42858 2/20 0.44
APAF1 O14727 1/20 0.44
TDP2 O95551 1/20 0.44
NSD2 O96028 1/20 0.44

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
Anthraquinone SCHEMBL28111282 0.89 ALDH1A1 (0.51) MEN1KMT2AMAPTALDH1A1NPC1
Tectoquinone SCHEMBL28835696 0.86 ALDH1A1 (0.53) MEN1KMT2AMAPTALDH1A1NPC1
SCHEMBL28130613 0.85 ALDH1A1 (0.52) MEN1KMT2AMAPTALDH1A1NPC1
SCHEMBL1470487 0.81 ALDH1A1 (0.47) MEN1KMT2AMAPTALDH1A1NPC1
SCHEMBL28225011 0.79 ALDH1A1 (0.42) MEN1KMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL28073736 0.79 ALDH1A1 (0.39) MEN1KMT2AMAPTALDH1A1NPC1
SCHEMBL5903677 0.77 ALDH1A1 (0.44) MEN1KMT2AMAPTALDH1A1SMN1; SMN2
Benzophenone SCHEMBL28087563 0.76 ALDH1A1 (0.44) MEN1KMT2AMAPTALDH1A1TDP1
SCHEMBL27296099 0.74 TRPA1 (0.50) MEN1KMT2AMAPTALDH1A1TSHR
SCHEMBL7556216 0.72 TRPA1 (0.49) MEN1KMT2AMAPTALDH1A1SMN1; SMN2

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-108350108-A Protective film formation film and protective film formation composite sheet 琳得科株式会社 2018-07-31 CN disclosed