SCHEMBL5612906

SCHEMBL5612906

NC(=O)N(c1ccccc1Br)c1ccccc1-c1ccc(C(=O)O)cc1O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 3/20 0.40
PTPRC P08575 2/20 0.39
POLB P06746 2/20 0.38
KDM4E B2RXH2 1/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
CA4 P22748 1/20 0.38
CA6 P23280 1/20 0.38
PTGS2 P35354 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
CA14 Q9ULX7 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
SRD5A2 P31213 3/20 0.38
SRD5A1 P18405 2/20 0.38
KMT2A Q03164 1/20 0.38
CHEK1 O14757 1/20 0.35

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
SCHEMBL27558267 0.84 EGFR (0.37) TTRPTPRCPOLBKDM4ECA12
SCHEMBL5594898 0.79 PARP1 (0.39) POLBKDM4ECA2GAAMAPT
SCHEMBL27576101 0.79 EGFR (0.41) KDM4ECA12CA1CA2CA9
SCHEMBL6816973 0.76 KMO (0.39) CA12CA1CA2CA6CA9
SCHEMBL27516293 0.76 KDM4E (0.38) POLBKDM4ECA12CA1CA2
SCHEMBL27515567 0.74 CXCR1 (0.35) POLBCA12CA1CA2MAPT
SCHEMBL27535699 0.74 PLAU (0.47) MAPTKMT2AALDH1A1
SCHEMBL5595353 0.74 MCL1 (0.47) TTRPTPRCPOLBMAPTL3MBTL1
SCHEMBL27515596 0.73 CES1 (0.37)
SCHEMBL27605669 0.73 CA12 (0.47) POLBKDM4ECA12CA1CA2

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 3 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
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