SCHEMBL6823913

SCHEMBL6823913

NC(=O)N(c1ccc([N+](=O)[O-])cc1O)c1cccc2ccccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.50
PTPN1 P18031 2/20 0.47
MEN1 O00255 5/20 0.43
KMT2A Q03164 5/20 0.43
POLB P06746 3/20 0.42
HPGD P15428 1/20 0.42
DUSP3 P51452 1/20 0.42
PTPN5 P54829 1/20 0.42
PTPN11 Q06124 1/20 0.42
ALOX5 P09917 3/20 0.42
TNF P01375 2/20 0.41
LMNA P02545 2/20 0.41
MAPT P10636 2/20 0.41
RAB9A P51151 2/20 0.41
NOD1 Q9Y239 2/20 0.41
RORC P51449 1/20 0.41
NPC1 O15118 1/20 0.41
PTGES O14684 1/20 0.40
TSHR P16473 1/20 0.40
S100A4 P26447 1/20 0.39

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
SCHEMBL27587711 0.85 GPR35 (0.51) KMT2AHPGDLMNAMAPTTSHR
SCHEMBL27605657 0.84 GPR35 (0.49) MEN1KMT2AHPGDMAPTRAB9A
SCHEMBL27587727 0.82 KCNMA1 (0.42) MEN1KMT2AHPGDDUSP3PTPN5
SCHEMBL27605655 0.82 GPR35 (0.41) MEN1KMT2AHPGDLMNAMAPT
SCHEMBL34468098 0.82 SIGMAR1 (0.55) SIGMAR1PTPN1MEN1KMT2APOLB
SCHEMBL4533530 0.82 CXCR2 (0.49) PTPN1MEN1KMT2AHPGDMAPT
SCHEMBL6820216 0.82 KMT2A (0.46) MEN1KMT2APOLBHPGDLMNA
SCHEMBL29967745 0.82 CXCR2 (0.49) PTPN1MEN1KMT2AHPGDMAPT
SCHEMBL27587702 0.81 MGLL (0.45) MEN1KMT2AHPGDLMNAMAPT
SCHEMBL27587736 0.81 TP53 (0.42) PTPN1MEN1KMT2APOLBMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1539816-A IL-8 receptor antagonists ʷ��˿�������ȳ�ķ���޹�˾ 2004-10-27 CN disclosed
EP-1185261-A4 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2004-02-25 EP disclosed
EP-1185261-A1 IL-8 RECEPTOR ANTAGONISTS SmithKline Beecham Corporation (US) 2002-03-13 EP disclosed
US-6211373-B1 Phenyl urea antagonists of the IL-8 receptor SMITHKLINE BEECHAM CORPORATION 2001-04-03 US disclosed
WO-2000076495-A1 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2000-12-21 WO disclosed