SCHEMBL5623959

SCHEMBL5623959

O=C(COc1ccc(Cl)cc1C(=O)c1cc2ccccc2o1)Nc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.58
SMN1; SMN2 Q16637 4/20 0.58
KDM4E B2RXH2 4/20 0.58
ALDH1A1 P00352 4/20 0.58
HPGD P15428 3/20 0.58
POLB P06746 3/20 0.58
GAA P10253 2/20 0.58
NPSR1 Q6W5P4 2/20 0.58
ITGA4 P13612 1/20 0.58
PTK2B Q14289 1/20 0.58
NPC1 O15118 6/20 0.54
RAB9A P51151 6/20 0.54
LMNA P02545 2/20 0.54
PSMD14 O00487 1/20 0.54
OPRM1 P35372 1/20 0.54
OPRD1 P41143 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
MEN1 O00255 4/20 0.52
KMT2A Q03164 4/20 0.52
TP53 P04637 2/20 0.49

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
SCHEMBL21067312 0.81 TP53 (0.66) MAPTSMN1; SMN2ALDH1A1HPGDPOLB
SCHEMBL5624271 0.80 POLB (0.48) MAPTSMN1; SMN2ALDH1A1HPGDPOLB
SCHEMBL27727540 0.78 MEN1 (0.62) MAPTSMN1; SMN2KDM4EALDH1A1HPGD
SCHEMBL14419347 0.77 NPC1 (0.56) MAPTSMN1; SMN2KDM4EALDH1A1HPGD
SCHEMBL14419509 0.77 NPC1 (0.61) MAPTSMN1; SMN2ALDH1A1GAANPC1
SCHEMBL5624016 0.76 TP53 (0.59) MAPTSMN1; SMN2ALDH1A1HPGDGAA
SCHEMBL14419384 0.76 SMN1; SMN2 (0.60) MAPTSMN1; SMN2ALDH1A1HPGDGAA
SCHEMBL7605174 0.74 TP53 (0.57) MAPTSMN1; SMN2ALDH1A1HPGDGAA
SCHEMBL5623697 0.74 SMN1; SMN2 (0.51) MAPTSMN1; SMN2KDM4EALDH1A1HPGD
SCHEMBL5623703 0.74 NPC1 (0.50) MAPTSMN1; SMN2ALDH1A1HPGDGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7273863-B1 Benzophenones as inhibitors of reverse transcriptase SMITHKLINE BEECHAM CORPORATION (US) 2007-09-25 US claimed
EP-1710238-A1 Benzophenones as inhibitors of reverse transcriptase GLAXO GROUP LIMITED (GB) 2006-10-11 EP claimed
CN-1391565-A Benzophenones as reverse transcriptase inhibitors GLAXO GROUP LTD (GB) 2003-01-15 CN claimed
EP-1208091-A1 BENZOPHENONES AS INHIBITORS OF REVERSE TRANSCRIPTASE GLAXO GROUP LIMITED (GB) 2002-05-29 EP claimed
WO-2001017982-A1 BENZOPHENONES AS INHIBITORS OF REVERSE TRANSCRIPTASE GLAXO GROUP LIMITED (GB) 2001-03-15 WO claimed
US-7273863-B1 Benzophenones as inhibitors of reverse transcriptase SMITHKLINE BEECHAM CORPORATION (US) 2007-09-25 US disclosed
US-7273863-B1 Benzophenones as inhibitors of reverse transcriptase SMITHKLINE BEECHAM CORPORATION (US) 2007-09-25 US disclosed
EP-1710238-A1 Benzophenones as inhibitors of reverse transcriptase GLAXO GROUP LIMITED (GB) 2006-10-11 EP disclosed
CN-1391565-A Benzophenones as reverse transcriptase inhibitors GLAXO GROUP LTD (GB) 2003-01-15 CN disclosed
EP-1208091-A1 BENZOPHENONES AS INHIBITORS OF REVERSE TRANSCRIPTASE GLAXO GROUP LIMITED (GB) 2002-05-29 EP disclosed
WO-2001017982-A1 BENZOPHENONES AS INHIBITORS OF REVERSE TRANSCRIPTASE GLAXO GROUP LIMITED (GB) 2001-03-15 WO disclosed