SCHEMBL20030668

SCHEMBL20030668

CCOC(=O)Cc1c(C)cc2nc(-c3ccc4c(c3)c(N3CCC(NC)C3)nn4C)sc2c1-c1ccc(C)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 10/20 0.32
KCNH2 Q12809 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32
PPARG P37231 1/20 0.32
PPARD Q03181 1/20 0.32
PPARA Q07869 1/20 0.32
MAPT P10636 1/20 0.32
THRB P10828 1/20 0.32
OPRK1 P41145 2/20 0.31
KDM4E B2RXH2 1/20 0.31
HPGD P15428 1/20 0.31
HSD17B10 Q99714 1/20 0.31
NPC1 O15118 1/20 0.31
PKM P14618 1/20 0.31
NFKB1 P19838 1/20 0.31
RAB9A P51151 1/20 0.31
NFKB2 Q00653 1/20 0.31
RELA Q04206 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
L3MBTL1 Q9Y468 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
SCHEMBL20030670 0.83 L3MBTL1 (0.32) MAPTKDM4EHPGDHSD17B10NPC1
SCHEMBL20030832 0.82 KDM4E (0.40) HRH4MAPTKDM4EHPGDHSD17B10
SCHEMBL20030678 0.81 KDM4E (0.34) MAPTKDM4EHPGDHSD17B10NPC1
SCHEMBL20030472 0.81 L3MBTL1 (0.36) MAPTKDM4EHPGDHSD17B10NPC1
SCHEMBL20106638 0.80 KDM4E (0.34) HRH4PPARGPPARDPPARAKDM4E
SCHEMBL20106636 0.80 KDM4E (0.34) HRH4PPARGPPARDPPARAKDM4E
SCHEMBL31114844 0.80 KDM4E (0.34) HRH4PPARGPPARDPPARAKDM4E
SCHEMBL31114904 0.80 KDM4E (0.34) HRH4PPARGPPARDPPARAKDM4E
SCHEMBL20030761 0.79 KDM4E (0.36) PPARAMAPTKDM4EHPGDHSD17B10
SCHEMBL20030619 0.79 KDM4E (0.34) MAPTKDM4EHPGDHSD17B10NPC1

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
WO-2018064080-A1 BENZOTHIAZOL-6-YL ACETIC ACID DERIVATIVES AND THEIR USE FOR TREATING HIV INFECTION GILEAD SCIENCES, INC. (US) 2018-04-05 WO disclosed