SCHEMBL28456554

SCHEMBL28456554

O=C(O)c1ccc2c(=O)c3ccc(C(=O)O)cc3sc2c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 6/20 0.49
KDM4E B2RXH2 4/20 0.44
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
HKDC1 Q2TB90 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
NFKB1 P19838 2/20 0.44
NFKB2 Q00653 2/20 0.44
RELA Q04206 2/20 0.44
LMNA P02545 1/20 0.44
TSHR P16473 2/20 0.42
TP53 P04637 1/20 0.42
POLB P06746 2/20 0.42
GAA P10253 2/20 0.42
MAPT P10636 2/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42

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
SCHEMBL28456827 0.93 STS (0.45) TTRKDM4ENPC1RAB9AL3MBTL1
SCHEMBL490172 0.91 TTR (0.54) TTRKDM4ENPC1RAB9AL3MBTL1
SCHEMBL204515 0.90 KDM4E (0.48) KDM4ENPC1RAB9AL3MBTL1TDP1
SCHEMBL30414903 0.90 KDM4E (0.48) KDM4ENPC1RAB9AL3MBTL1TDP1
SCHEMBL473687 0.86 BCL2L1 (0.46) TTRKDM4ENPC1RAB9AL3MBTL1
SCHEMBL14020124 0.86 KDM4E (0.60) TTRKDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL10622354 0.86 BCKDK (0.46) TTRKDM4ENPC1RAB9AL3MBTL1
SCHEMBL30414825 0.86 KDM4E (0.46) KDM4ENPC1RAB9AL3MBTL1TDP1
Hydrochloric Acid SCHEMBL487123 0.84 ALDH1A1 (0.44) TTRKDM4ENPC1RAB9AL3MBTL1
SCHEMBL28453627 0.84 STS (0.49) TTRKDM4ENPC1RAB9AL3MBTL1

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-111269420-A High-plane-rigidity thioxanthone polyimide and preparation method and application thereof 湖南工业大学 2020-06-12 CN disclosed