SCHEMBL3658890

SCHEMBL3658890

Oc1conc1-c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.54
PTGS2 P35354 3/20 0.47
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
LMNA P02545 1/20 0.42
TP53 P04637 1/20 0.42
MAPK1 P28482 1/20 0.42
HTT P42858 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
BACE1 P56817 1/20 0.39
CA12 O43570 2/20 0.39
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
CA9 Q16790 2/20 0.39
PTGS1 P23219 1/20 0.38
HPGD P15428 2/20 0.38
ALDH1A1 P00352 1/20 0.38
BCL2L1 Q07817 1/20 0.38
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL5425872 0.78 PTGS2 (0.47) HSP90AA1PTGS2MEN1KMT2AL3MBTL1
SCHEMBL1797330 0.76 PTGS2 (0.67) HSP90AA1PTGS2MEN1KMT2AL3MBTL1
SCHEMBL16410073 0.75 HSP90AA1 (0.73) HSP90AA1PTGS2MEN1KMT2AL3MBTL1
SCHEMBL3659068 0.75 KIF11 (0.47) MEN1KMT2AMAPK1ALDH1A1HSD17B10
SCHEMBL1092219 0.74 CYP19A1 (0.53) HSP90AA1PTGS2MEN1KMT2AL3MBTL1
SCHEMBL27217198 0.74 PTGS2 (0.44) HSP90AA1PTGS2MEN1KMT2AL3MBTL1
SCHEMBL27514872 0.74 PTGS2 (0.44) HSP90AA1PTGS2MEN1KMT2AL3MBTL1
SCHEMBL27813684 0.74 PTGS2 (0.47) HSP90AA1PTGS2MEN1KMT2AL3MBTL1
SCHEMBL2929388 0.74 NOTUM (0.49) HSP90AA1PTGS2MEN1KMT2AL3MBTL1
SCHEMBL1225673 0.74 PTGS2 (0.44) HSP90AA1PTGS2MEN1KMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2227475-B1 ISOXAZOLOPYRIDINE DERIVATIVES FOR USE IN THE TREATMENT OF HIF-MEDIATED CONDITIONS FIBROGEN INC (US) 2014-02-19 EP disclosed
EP-2227475-A1 ISOXAZOLOPYRIDINE DERIVATIVES FOR USE IN THE TREATMENT OF HIF-MEDIATED CONDITIONS Fibrogen, Inc. (US) 2010-09-15 EP disclosed
WO-2009073669-A1 ISOXAZOLOPYRIDINE DERIVATIVES FOR USE IN THE TREATMENT OF HIF-MEDIATED CONDITIONS FIBROGEN, INC. (US) 2009-06-11 WO disclosed
EP-0644198-A1 Alpha-heteroaryloxymethyl ketones as interleukin-1beta converting enzyme inhibitors STERLING WINTHROP INC. (US) 1995-03-22 EP disclosed