SCHEMBL7537503

SCHEMBL7537503

COc1ccc(-c2csc(Nc3ccc(Nc4nc(-c5ccc(OC)cc5)cs4)cc3)n2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 4/20 1.00
MEN1 O00255 9/20 0.97
KMT2A Q03164 9/20 0.97
MAPT P10636 9/20 0.97
RAB9A P51151 7/20 0.97
SMN1; SMN2 Q16637 7/20 0.97
NPC1 O15118 6/20 0.97
GAA P10253 5/20 0.97
ALOX5 P09917 3/20 0.86
VCP P55072 1/20 0.86
ALDH1A1 P00352 5/20 0.86
NFKB1 P19838 4/20 0.86
NFKB2 Q00653 4/20 0.86
RELA Q04206 4/20 0.86
MCL1 Q07820 1/20 0.86
RECQL P46063 1/20 0.86
MAPK1 P28482 2/20 0.84
CSNK2A1 P68400 1/20 0.78
LMNA P02545 2/20 0.71
ALOX12 P18054 2/20 0.71

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
SCHEMBL12297852 1.00 PTGS2 (1.00) PTGS2MEN1KMT2AMAPTRAB9A
SCHEMBL12297395 0.94 PTGS2 (1.00) PTGS2MEN1KMT2AMAPTRAB9A
SCHEMBL12297430 0.93 PTGS2 (0.86) PTGS2MEN1KMT2AMAPTRAB9A
SCHEMBL12297264 0.93 MEN1 (0.95) PTGS2MEN1KMT2AMAPTRAB9A
SCHEMBL12297423 0.93 PTGS2 (0.86) PTGS2MEN1KMT2AMAPTRAB9A
SCHEMBL11375904 0.93 PTGS2 (0.86) PTGS2MEN1KMT2AMAPTRAB9A
SCHEMBL12297262 0.93 ALOX5 (1.00) PTGS2MEN1KMT2AMAPTRAB9A
SCHEMBL1822120 0.93 MEN1 (1.00) PTGS2MEN1KMT2AMAPTRAB9A
SCHEMBL1889521 0.93 PTGS2 (0.86) PTGS2MEN1KMT2AMAPTRAB9A
SCHEMBL29276782 0.93 MEN1 (1.00) PTGS2MEN1KMT2AMAPTRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6391894-B1 ANTICANCER AGENTS; ANTIPROLIFERATIVE AGENTS SMITHKLINE BEECHAM CORPORATION 2002-05-21 US claimed
EP-1137415-A4 MYT1 KINASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2002-03-20 EP claimed
EP-1137415-A1 MYT1 KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2001-10-04 EP claimed
WO-2000033842-A1 MYT1 KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2000-06-15 WO claimed
US-6391894-B1 ANTICANCER AGENTS; ANTIPROLIFERATIVE AGENTS SMITHKLINE BEECHAM CORPORATION 2002-05-21 US disclosed
EP-1137415-A4 MYT1 KINASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2002-03-20 EP disclosed
EP-1137415-A1 MYT1 KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2001-10-04 EP disclosed
WO-2000033842-A1 MYT1 KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2000-06-15 WO disclosed