SCHEMBL6818009

SCHEMBL6818009

Nc1ccc(Br)c2[nH]nnc12

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.38
APAF1 O14727 1/20 0.38
TDP2 O95551 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
CASP3 P42574 1/20 0.38
KMT2A Q03164 1/20 0.38
SENP8 Q96LD8 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
SENP6 Q9GZR1 1/20 0.38
AXL P30530 2/20 0.32
GPR35 Q9HC97 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
SCHEMBL29771738 0.83 NOS1 (0.33)
SCHEMBL11204869 0.83
SCHEMBL1681343 0.83 NOS1 (0.33)
SCHEMBL27627272 0.76
SCHEMBL2954502 0.69 MAPT (0.41) MEN1ALDH1A1MAPTKMT2AGPR35
SCHEMBL3429308 0.69 ALDH1A1 (0.43) MEN1ALDH1A1MAPTKMT2AGPR35
SCHEMBL3469279 0.68 PDPK1 (0.32) MEN1APAF1TDP2ALDH1A1MAPT
SCHEMBL6729678 0.68 IDO1 (0.39)
SCHEMBL11221099 0.66 KMT2A (0.51) MEN1ALDH1A1MAPTCASP3KMT2A
SCHEMBL11221100 0.66 KMT2A (0.51) MEN1ALDH1A1MAPTCASP3KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1217660-C IL-8 receptor antagonists SMITHKLINE BEECHAM CORP (US) 2005-09-07 CN disclosed
EP-1185265-A4 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2004-02-04 EP disclosed
EP-1185265-A1 IL-8 RECEPTOR ANTAGONISTS SmithKline Beecham Corporation (US) 2002-03-13 EP disclosed
US-6300325-B1 HETEROCYCLIC RECEPTOR ANTAGONIST SMITHKLINE BEECHAM CORPORATION 2001-10-09 US disclosed
WO-2000076501-A1 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2000-12-21 WO disclosed
EP-0991406-A4 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2000-12-13 EP disclosed
CN-1251038-A IL-8 receptor antagonists SMITHKLINE BEECHAM CORP (US) 2000-04-19 CN disclosed
EP-0991406-A1 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2000-04-12 EP disclosed
WO-1998032439-A1 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1998-07-30 WO disclosed