SCHEMBL15526307

SCHEMBL15526307

CCCCOOC(=O)Cc1c(C)cc2nc(-c3cc(Cl)nc(Cl)c3)sc2c1-c1ccc(Cl)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.35
RXFP1 Q9HBX9 1/20 0.35
KDM4E B2RXH2 3/20 0.34
TRPM8 Q7Z2W7 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
ALDH1A1 P00352 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
PTGDR2 Q9Y5Y4 2/20 0.33
HPGD P15428 1/20 0.33
HTT P42858 1/20 0.33
CASP3 P42574 1/20 0.33
SENP8 Q96LD8 1/20 0.33
SENP7 Q9BQF6 1/20 0.33
SENP6 Q9GZR1 1/20 0.33
RARA P10276 1/20 0.32
RARB P10826 1/20 0.32
RARG P13631 1/20 0.32
NPC1 O15118 1/20 0.32

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
SCHEMBL15526228 0.88 MAPT (0.35) MAPTRXFP1KDM4ETRPM8TDP1
SCHEMBL15526313 0.86 CDK2 (0.35) MAPTRXFP1L3MBTL1MEN1KMT2A
SCHEMBL15526212 0.85 KDM4E (0.35) MAPTRXFP1KDM4ETDP1L3MBTL1
SCHEMBL15526184 0.84 NMT1 (0.39)
SCHEMBL15526288 0.84 KDM4E (0.33) MAPTRXFP1KDM4ETDP1L3MBTL1
SCHEMBL15526304 0.83 KDM4E (0.32) MAPTRXFP1KDM4ETDP1L3MBTL1
SCHEMBL15526339 0.82 MAPT (0.39) MAPTRXFP1KDM4EALDH1A1MEN1
SCHEMBL15526437 0.81 EIF4E (0.35) MAPTRXFP1KDM4ETP53CNR1
SCHEMBL15526295 0.80 MAP4K1 (0.32) MAPTRXFP1
SCHEMBL15526316 0.79 NAMPT (0.33) MAPTKDM4ETDP1ALDH1A1MEN1

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