SCHEMBL6824319

SCHEMBL6824319

NC(=O)N(c1cc([N+](=O)[O-])ccc1O)c1cccc(Cl)c1Cl

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.44
RAB9A P51151 5/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
NPC1 O15118 4/20 0.41
MAPT P10636 3/20 0.41
MEN1 O00255 3/20 0.41
GAA P10253 2/20 0.41
HTT P42858 2/20 0.41
XBP1 P17861 1/20 0.41
THRB P10828 1/20 0.41
TSHR P16473 3/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
ALDH1A1 P00352 4/20 0.39
TP53 P04637 2/20 0.39
MAPK1 P28482 2/20 0.39
HPGD P15428 2/20 0.39
GPR35 Q9HC97 1/20 0.39
PABPC1 P11940 1/20 0.39
DUSP3 P51452 1/20 0.39
PTPN5 P54829 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
SCHEMBL6820216 0.80 KMT2A (0.46) KMT2ARAB9ASMN1; SMN2NPC1MAPT
SCHEMBL27556186 0.78 SMN1; SMN2 (0.47) KMT2ASMN1; SMN2MAPTMEN1GAA
SCHEMBL6823553 0.78 MYC (0.44) KMT2ARAB9ASMN1; SMN2NPC1MAPT
SCHEMBL27653558 0.78 ALDH1A1 (0.44) KMT2ARAB9ASMN1; SMN2NPC1MAPT
SCHEMBL27587712 0.77 MAPT (0.46) KMT2ARAB9ASMN1; SMN2NPC1MAPT
SCHEMBL27587881 0.76 THRB (0.41) KMT2ARAB9ASMN1; SMN2NPC1MAPT
SCHEMBL6824297 0.76 DAO (0.36) KMT2ARAB9ANPC1MAPTMEN1
SCHEMBL27587711 0.74 GPR35 (0.51) KMT2ASMN1; SMN2MAPTGAAHTT
SCHEMBL27556281 0.72 KMT2A (0.40) KMT2ARAB9ASMN1; SMN2NPC1MAPT
SCHEMBL7552627 0.72 TSHR (0.36) KMT2AMAPTMEN1TSHRL3MBTL1

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-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
WO-2000076495-A1 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2000-12-21 WO disclosed