SCHEMBL6653300

SCHEMBL6653300

Nc1cccc2c1NSCC2

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.41
MAPT P10636 2/20 0.41
ALDH1A1 P00352 2/20 0.41
HPGD P15428 2/20 0.41
MEN1 O00255 1/20 0.41
LMNA P02545 1/20 0.41
GAA P10253 1/20 0.41
KMT2A Q03164 1/20 0.41
CD44 P16070 1/20 0.38
HSD17B10 Q99714 2/20 0.33
HIF1A Q16665 1/20 0.33
CYP3A4 P08684 1/20 0.30
TSHR P16473 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL16468973 0.70 PRCP (0.41) KDM4EMAPT
SCHEMBL1119383 0.69 CD44 (0.46) KDM4EMAPTALDH1A1HPGDMEN1
SCHEMBL30425286 0.69 CD44 (0.46) KDM4EMAPTALDH1A1HPGDMEN1
SCHEMBL4495963 0.67 NPC1 (0.42) KDM4EMAPTALDH1A1HPGDMEN1
SCHEMBL1082367 0.67 SRC (0.49) KDM4EMAPTALDH1A1HPGDMEN1
SCHEMBL29661329 0.67 SRC (0.49) KDM4EMAPTALDH1A1HPGDMEN1
SCHEMBL10816476 0.65 KDM4E (0.41) KDM4EMAPTALDH1A1HPGDMEN1
SCHEMBL3593739 0.65 NPC1 (0.50) KDM4EMAPTALDH1A1HPGDMEN1
SCHEMBL9394752 0.63 CD44 (0.36) KDM4EMAPTALDH1A1HPGDMEN1
SCHEMBL3600649 0.63 CD44 (0.36) KDM4EMAPTALDH1A1HPGDMEN1

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
EP-0971908-B1 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2004-06-30 EP disclosed
US-6436927-B1 8-UREIDO AND 8-THIOUREIDO 2,1-BENZOTHIAZINE 2,2-DIOXIDES SMITHKLINE BEECHAM CORPORATION 2002-08-20 US disclosed
EP-0971908-A4 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM (US) 2000-05-17 EP disclosed
EP-0971908-A1 IL-8 RECEPTOR ANTAGONISTS Smithkline Beecham (US) 2000-01-19 EP disclosed
WO-1998034929-A9 IL-8 RECEPTOR ANTAGONISTS 1999-01-07 WO disclosed
WO-1998034929-A1 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1998-08-13 WO disclosed