SCHEMBL15526288

SCHEMBL15526288

CCCCOOC(=O)Cc1c(C)cc2nc(-c3cnc4c(c3)nc(C)n4C)sc2c1-c1ccc(Cl)cc1

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.33
TDP1 Q9NUW8 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
MAPT P10636 3/20 0.32
RXFP1 Q9HBX9 1/20 0.32
HPGD P15428 2/20 0.32
ALDH1A1 P00352 1/20 0.32
HTT P42858 1/20 0.32
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
SMN1; SMN2 Q16637 1/20 0.30
MCHR1 Q99705 1/20 0.30
LMNA P02545 1/20 0.30
FPR1 P21462 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
SCHEMBL15526304 0.84 KDM4E (0.32) KDM4ETDP1L3MBTL1MAPTRXFP1
SCHEMBL15526307 0.84 MAPT (0.35) KDM4ETDP1L3MBTL1MAPTRXFP1
SCHEMBL15526287 0.82 MAPT (0.33) KDM4EMAPTRXFP1ALDH1A1MEN1
SCHEMBL15526212 0.81 KDM4E (0.35) KDM4ETDP1L3MBTL1MAPTRXFP1
SCHEMBL15526313 0.81 CDK2 (0.35) L3MBTL1MAPTRXFP1MEN1KMT2A
SCHEMBL15526228 0.80 MAPT (0.35) KDM4ETDP1L3MBTL1MAPTRXFP1
SCHEMBL15526184 0.79 NMT1 (0.39) MCHR1
SCHEMBL15526295 0.77 MAP4K1 (0.32) MAPTRXFP1
SCHEMBL15526316 0.77 NAMPT (0.33) KDM4ETDP1MAPTHPGDALDH1A1
SCHEMBL20030995 0.76 KDM4E (0.43) KDM4ETDP1L3MBTL1MAPTHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2788336-A1 BENZOTHIAZOL- 6 -YL ACETIC ACID DERIVATIVES AND THEIR USE FOR TREATING AN HIV INFECTION Gilead Sciences, Inc. (US) 2014-10-15 EP disclosed
WO-2013159064-A1 BENZOTHIAZOL- 6 -YL ACETIC ACID DERIVATIVES AND THEIR USE FOR TREATING AN HIV INFECTION GILEAD SCIENCES, INC. (US) 2013-10-24 WO disclosed