SCHEMBL15526437

SCHEMBL15526437

CCCCOOC(=O)Cc1c(C)cc2nc(-c3ccnc(-c4cccnc4OC)c3)sc2c1-c1ccc(Cl)cc1

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EIF4E P06730 1/20 0.35
MAPT P10636 6/20 0.35
TP53 P04637 6/20 0.35
LMNA P02545 3/20 0.35
RXFP1 Q9HBX9 2/20 0.34
KDM4E B2RXH2 1/20 0.32
MAPK1 P28482 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
DHODH Q02127 1/20 0.32
IDH1 O75874 1/20 0.31
AURKA O14965 1/20 0.31
AURKB Q96GD4 1/20 0.31
TPX2 Q9ULW0 1/20 0.31
CNR1 P21554 2/20 0.31
PTPN11 Q06124 1/20 0.31
GAA P10253 1/20 0.31
KLKB1 P03952 1/20 0.30
GCGR P47871 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
SCHEMBL17547091 0.87 EIF4E (0.41) EIF4EMAPTTP53LMNAKDM4E
SCHEMBL15526381 0.83 MAPT (0.32) MAPTRXFP1
SCHEMBL15526436 0.83 EIF4E (0.37) EIF4EMAPTTP53LMNARXFP1
SCHEMBL15526307 0.81 MAPT (0.35) MAPTTP53LMNARXFP1KDM4E
SCHEMBL15526339 0.81 MAPT (0.39) MAPTTP53LMNARXFP1KDM4E
SCHEMBL15526295 0.81 MAP4K1 (0.32) MAPTRXFP1
SCHEMBL15526228 0.80 MAPT (0.35) MAPTRXFP1KDM4ECNR1
SCHEMBL15526184 0.79 NMT1 (0.39)
SCHEMBL19905797 0.78 EIF4E (0.39) EIF4EMAPTTP53LMNARXFP1
SCHEMBL15526313 0.77 CDK2 (0.35) MAPTRXFP1AURKAAURKBCNR1

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