SCHEMBL5595353

SCHEMBL5595353

NC(=O)N(c1cc2c(cc1O)C(=O)c1ccccc1C2=O)c1ccccc1Br

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 7/20 0.47
BCL2 P10415 6/20 0.47
PKLR P30613 1/20 0.41
HTR7 P34969 1/20 0.36
HTR2B P41595 1/20 0.36
TTR P02766 2/20 0.36
ALDH1A1 P00352 2/20 0.35
MAPK1 P28482 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
NPC1 O15118 1/20 0.35
TP53 P04637 1/20 0.35
CYP3A4 P08684 1/20 0.35
TSHR P16473 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
LCK P06239 1/20 0.35
PTPRC P08575 1/20 0.34
P2RX7 Q99572 1/20 0.34
MEN1 O00255 2/20 0.34
MAPT P10636 2/20 0.34

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
SCHEMBL27517284 0.80 MEN1 (0.37) ALDH1A1TDP1SMN1; SMN2LCKMEN1
SCHEMBL27516293 0.78 KDM4E (0.38) ALDH1A1TDP1NPC1CYP3A4TSHR
SCHEMBL27515970 0.75 PTK2 (0.36) MAPK1NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL27528054 0.75 CA3 (0.33) ALDH1A1NPC1TP53RAB9ASMN1; SMN2
SCHEMBL5594898 0.75 PARP1 (0.39) ALDH1A1MAPK1TDP1CYP3A4TSHR
SCHEMBL27499547 0.75 MAOB (0.34) ALDH1A1NPC1TP53RAB9ASMN1; SMN2
SCHEMBL27499553 0.74 ACMSD (0.43) MCL1ALDH1A1MAPK1MEN1MAPT
SCHEMBL5612906 0.74 TTR (0.40) TTRALDH1A1TDP1PTPRCMAPT
SCHEMBL27515567 0.74 CXCR1 (0.35) MCL1ALDH1A1MAPTKMT2ALMNA
SCHEMBL7185410 0.72 MEN1 (0.38) ALDH1A1SMN1; SMN2MEN1MAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0809492-A4 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2007-01-24 EP disclosed
CN-1539816-A IL-8 receptor antagonists ʷ��˿�������ȳ�ķ���޹�˾ 2004-10-27 CN disclosed
CN-1355697-A IL-8 receptor antagonists SMITHKLINE BEECHAM CORP (US) 2002-06-26 CN disclosed
CN-1215990-A IL-8 receptor antagonists SMITHKLINE BEECHAM CORP (US) 1999-05-05 CN disclosed
EP-0809492-A1 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1997-12-03 EP disclosed
WO-1996025157-A1 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1996-08-22 WO disclosed