SCHEMBL28246743

SCHEMBL28246743

CCCCc1cccc2c1C(=O)c1ccccc1C2=O.O=c1c2ccccc2sc2ccccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 7/20 0.49
CTSG P08311 5/20 0.49
NR1H2 P55055 1/20 0.39
NR1H3 Q13133 1/20 0.39
PTPN1 P18031 1/20 0.38
MAPT P10636 3/20 0.37
TDP1 Q9NUW8 3/20 0.37
L3MBTL1 Q9Y468 3/20 0.37
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 2/20 0.37
RAB9A P51151 2/20 0.37
NPC1 O15118 1/20 0.37
SLC37A4 O43826 1/20 0.37
MAOA P21397 1/20 0.36
CYP19A1 P11511 1/20 0.36
EGFR P00533 2/20 0.35
MAPK1 P28482 2/20 0.35
PABPC1 P11940 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NSD2 O96028 1/20 0.35

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
SCHEMBL127114 0.85 ELANE (0.55) ELANECTSGNR1H2NR1H3PTPN1
SCHEMBL11208616 0.81 MAPT (0.41) ELANECTSGMAPTTDP1L3MBTL1
SCHEMBL486105 0.81 ELANE (0.56) ELANECTSGNR1H2NR1H3PTPN1
SCHEMBL30389447 0.81 ELANE (0.56) ELANECTSGNR1H2NR1H3PTPN1
Anthraquinone SCHEMBL27877074 0.81 ELANE (0.56) ELANECTSGNR1H2NR1H3PTPN1
SCHEMBL1053180 0.80 ELANE (0.57) ELANECTSGNR1H2NR1H3PTPN1
SCHEMBL28036577 0.80 ELANE (0.57) ELANECTSGNR1H2NR1H3PTPN1
Ethane SCHEMBL28747872 0.80 ELANE (0.55) ELANECTSGNR1H2NR1H3PTPN1
SCHEMBL8671915 0.79 ELANE (0.55) ELANECTSGNR1H2NR1H3PTPN1
SCHEMBL8671230 0.79 ELANE (0.48) ELANECTSGNR1H2NR1H3PTPN1

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-108594597-A A kind of photocuring heat-curable composition 欧利生东邦涂料(东莞)有限公司 2018-09-28 CN disclosed