SCHEMBL7075715

SCHEMBL7075715

COC(=O)c1ccsc1-c1cccc(OCCBr)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MAPT P10636 4/20 0.40
DHODH Q02127 2/20 0.40
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
CTSA P10619 1/20 0.39
ALDH1A1 P00352 2/20 0.39
LMNA P02545 2/20 0.39
HSD17B10 Q99714 1/20 0.39
RAB9A P51151 2/20 0.38
MTNR1A P48039 1/20 0.38
MTNR1B P49286 1/20 0.38
MEN1 O00255 1/20 0.38
GAA P10253 1/20 0.38
HPGD P15428 1/20 0.38
KMT2A Q03164 1/20 0.38
PTPN1 P18031 1/20 0.38
PPARG P37231 1/20 0.38

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
SCHEMBL7074931 0.93 KDM4E (0.44) KDM4ETDP1L3MBTL1MAPTDHODH
SCHEMBL7130108 0.88 KDM4E (0.43) KDM4ETDP1L3MBTL1MAPTDHODH
SCHEMBL7076583 0.86 KDM4E (0.48) KDM4ETDP1L3MBTL1MAPTMAOB
SCHEMBL7076016 0.85 KDM4E (0.49) KDM4ETDP1L3MBTL1MAPTMAOA
SCHEMBL7136554 0.84 ALDH1A1 (0.50) KDM4ETDP1L3MBTL1MAPTMAOA
SCHEMBL7135585 0.81 BACE1 (0.56) KDM4EALDH1A1MEN1GAAKMT2A
SCHEMBL7075691 0.78 MAPT (0.47) KDM4ETDP1L3MBTL1MAPTLMNA
SCHEMBL7130579 0.76 CA12 (0.46) KDM4ETDP1L3MBTL1MAPTALDH1A1
SCHEMBL5949785 0.75 ALDH1A1 (0.50) KDM4ETDP1L3MBTL1MAPTALDH1A1
SCHEMBL1606555 0.74 MAPT (0.54) MAPTALDH1A1RAB9AKMT2ACYP4F2

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-2003051368-A1 N-AROYL CYCLIC AMINE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 2003-06-26 WO disclosed