SCHEMBL5594898

SCHEMBL5594898

NC(=O)c1ccc(N(C(N)=O)c2ccccc2Br)c(O)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 6/20 0.39
LCK P06239 1/20 0.38
PARP10 Q53GL7 3/20 0.37
PTPN1 P18031 1/20 0.36
MAPT P10636 3/20 0.34
TSHR P16473 2/20 0.34
HSD17B10 Q99714 2/20 0.34
POLB P06746 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C19 P33261 1/20 0.34
RECQL P46063 1/20 0.34
BLM P54132 1/20 0.34
PMP22 Q01453 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CA2 P00918 1/20 0.33
PLAU P00749 1/20 0.33
RORC P51449 1/20 0.32
MAPK1 P28482 1/20 0.32
SMN1; SMN2 Q16637 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
SCHEMBL27605669 0.85 CA12 (0.47) LCKMAPTTSHRHSD17B10POLB
SCHEMBL27515596 0.85 CES1 (0.37) PARP10
SCHEMBL27535699 0.83 PLAU (0.47) PTPN1MAPTPLAUMAPK1SMN1; SMN2
SCHEMBL27516293 0.83 KDM4E (0.38) MAPTTSHRHSD17B10POLBCYP3A4
SCHEMBL27528054 0.83 CA3 (0.33) PARP1MAPTSMN1; SMN2ALDH1A1LMNA
SCHEMBL27515970 0.83 PTK2 (0.36) MAPTMAPK1SMN1; SMN2LMNAHTT
SCHEMBL27576101 0.83 EGFR (0.41) HSD17B10CA2KDM4ELMNA
SCHEMBL27499553 0.82 ACMSD (0.43) MAPTHSD17B10MAPK1KDM4EALDH1A1
SCHEMBL6823428 0.81 KMT2A (0.38) MAPTPOLBRECQLTDP1CA2
SCHEMBL27499849 0.81 ALDH1A1 (0.52) HSD17B10L3MBTL1CA2PLAUSMN1; SMN2

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