SCHEMBL20030976

SCHEMBL20030976

CCOC(=O)Cc1c(C)cc2nc(-c3ccc4c(c3)c(N3CC(N(C)C(=O)OC(C)(C)C)C3)nn4C)sc2c1-c1ccc(Cl)cc1

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.35
KDM4E B2RXH2 4/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
HPGD P15428 2/20 0.32
MAPT P10636 2/20 0.32
MEN1 O00255 1/20 0.32
LMNA P02545 1/20 0.32
FPR1 P21462 1/20 0.32
KMT2A Q03164 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HTT P42858 1/20 0.32
ADORA2A P29274 2/20 0.31
ADORA2B P29275 2/20 0.31
HSD17B10 Q99714 1/20 0.31
PPARA Q07869 1/20 0.30
TRPM8 Q7Z2W7 1/20 0.30

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
SCHEMBL20030761 0.92 KDM4E (0.36) SMN1; SMN2KDM4ETDP1L3MBTL1HPGD
SCHEMBL20030978 0.88
SCHEMBL20030832 0.84 KDM4E (0.40) SMN1; SMN2KDM4ETDP1L3MBTL1HPGD
SCHEMBL31114900 0.83 PDE10A (0.33) PPARA
SCHEMBL31114884 0.83 PDE10A (0.33) PPARA
SCHEMBL20030481 0.83 PTGDR2 (0.35) KDM4EMEN1KMT2AALDH1A1PPARA
SCHEMBL20030856 0.82 CNR1 (0.38) SMN1; SMN2KDM4ETDP1L3MBTL1HPGD
SCHEMBL20030760 0.81 PPARA (0.31) PPARA
SCHEMBL20030930 0.80 SMN1; SMN2 (0.38) SMN1; SMN2KDM4ETDP1L3MBTL1HPGD
SCHEMBL20030918 0.80 KDM4E (0.39) SMN1; SMN2KDM4ETDP1L3MBTL1HPGD

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