SCHEMBL6825974

SCHEMBL6825974

CCc1ccc(N(C(N)=O)c2ccccc2Br)c(O)c1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.39
RAB9A P51151 2/20 0.37
NPC1 O15118 1/20 0.37
ALDH1A1 P00352 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
SIGMAR1 Q99720 3/20 0.37
ESR1 P03372 4/20 0.36
ALOX5 P09917 2/20 0.34
MAPT P10636 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 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
SCHEMBL27515970 0.82 PTK2 (0.36) TRPA1RAB9ANPC1SMN1; SMN2ESR1
SCHEMBL27516293 0.80 KDM4E (0.38) RAB9ANPC1ALDH1A1SMN1; SMN2ESR1
SCHEMBL5594898 0.80 PARP1 (0.39) ALDH1A1SMN1; SMN2MAPT
SCHEMBL27528054 0.80 CA3 (0.33) RAB9ANPC1ALDH1A1SMN1; SMN2ESR1
SCHEMBL27605669 0.80 CA12 (0.47) ALDH1A1SMN1; SMN2MAPTMEN1KMT2A
SCHEMBL27499553 0.78 ACMSD (0.43) ALDH1A1ALOX5MAPTMEN1KMT2A
SCHEMBL27528049 0.76 SMN1; SMN2 (0.37) RAB9ANPC1ALDH1A1SMN1; SMN2ESR1
SCHEMBL7506969 0.76 CXCR2 (0.48) ALDH1A1MEN1KMT2A
SCHEMBL27517284 0.76 MEN1 (0.37) ALDH1A1SMN1; SMN2ESR1MAPTMEN1
SCHEMBL6208255 0.76 NR3C1 (0.41) ALDH1A1MAPT

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
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
CN-1355697-A IL-8 receptor antagonists SMITHKLINE BEECHAM CORP (US) 2002-06-26 CN 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
CN-1215990-A IL-8 receptor antagonists SMITHKLINE BEECHAM CORP (US) 1999-05-05 CN disclosed