SCHEMBL8080077

SCHEMBL8080077

CC(=O)Oc1ccc(Cl)c2c(=O)c3ccccc3sc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.44
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
KDM4E B2RXH2 3/20 0.44
CYP3A4 P08684 2/20 0.44
HPGD P15428 2/20 0.44
ALOX12 P18054 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
ALDH1A1 P00352 3/20 0.39
HCRTR1 O43613 2/20 0.39
POLB P06746 2/20 0.39
LMNA P02545 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39

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
SCHEMBL8078847 0.85 KMT2A (0.41) MAPTNPC1RAB9AKDM4ECYP3A4
SCHEMBL19389781 0.84 MAPT (0.41) MAPTNPC1RAB9AKDM4ECYP3A4
SCHEMBL86018 0.84 TYMS (0.41) MAPTNPC1RAB9AKDM4ECYP3A4
SCHEMBL13798431 0.84 MAPT (0.58) MAPTNPC1RAB9AKDM4ECYP3A4
SCHEMBL29936552 0.84 MAPT (0.58) MAPTNPC1RAB9AKDM4ECYP3A4
SCHEMBL16561459 0.82 MAPT (0.38) MAPTNPC1RAB9AKDM4ECYP3A4
SCHEMBL1614833 0.81 MAPT (0.45) MAPTNPC1RAB9AKDM4ECYP3A4
SCHEMBL14556883 0.81 MAPT (0.45) MAPTNPC1RAB9AKDM4ECYP3A4
SCHEMBL23712946 0.80 MAPT (0.41) MAPTNPC1RAB9AKDM4ECYP3A4
SCHEMBL30080217 0.80 PTPN1 (0.49) MAPTNPC1RAB9AKDM4ECYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0520574-B1 Thioxanthone derivatives LAMBSON FINE CHEMICALS LIMITED (GB) 2000-08-16 EP disclosed
US-5414092-A Photoinitiators INTERNATIONAL BIO-SYNTHETICS LIMITED (GB) 1995-05-09 US disclosed
EP-0520574-A1 Thioxanthone derivatives GREAT LAKES FINE CHEMICALS LIMITED (GB) 1992-12-30 EP disclosed