SCHEMBL4622265

SCHEMBL4622265

O=C(O)c1cccc2c1ccn2C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.47
NR4A1 P22736 1/20 0.46
NR4A2 P43354 1/20 0.46
NR4A3 Q92570 1/20 0.46
NOTUM Q6P988 1/20 0.45
ALOX15 P16050 1/20 0.41
FABP4 P15090 4/20 0.41
KDM4E B2RXH2 4/20 0.41
KDM4A O75164 2/20 0.41
EGLN1 Q9GZT9 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
RAB9A P51151 1/20 0.41
HIF1AN Q9NWT6 1/20 0.41
PTPN1 P18031 2/20 0.40
HPGD P15428 2/20 0.40
POLB P06746 1/20 0.40
HSD17B10 Q99714 1/20 0.40
FABP3 P05413 1/20 0.39
FABP5 Q01469 1/20 0.39
KDM6B O15054 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
SCHEMBL16496359 0.80 GAA (0.41) ALDH1A1NOTUMFABP4KDM4EL3MBTL1
SCHEMBL2473118 0.80 GAA (0.41) ALDH1A1NOTUMFABP4KDM4EL3MBTL1
SCHEMBL29473859 0.79 HTR6 (0.50) NOTUMALOX15KDM4EKDM4AEGLN1
SCHEMBL16056407 0.79 HTR6 (0.50) NOTUMALOX15KDM4EKDM4AEGLN1
SCHEMBL3166303 0.78 L3MBTL1 (0.43) NOTUMFABP4L3MBTL1PTPN1FABP3
SCHEMBL1586669 0.78 ALDH1A1 (0.41) ALDH1A1NR4A1NR4A2NR4A3NOTUM
SCHEMBL15018177 0.78 NOTUM (0.72) ALDH1A1NOTUML3MBTL1RAB9ATSHR
SCHEMBL15512719 0.78 NOTUM (0.45) ALDH1A1NOTUMKDM4EL3MBTL1RAB9A
SCHEMBL5623181 0.78 FABP4 (0.48) NOTUMFABP4L3MBTL1RAB9ATSHR
SCHEMBL1130987 0.78 PTPN1 (0.61) ALDH1A1NR4A1NR4A2NR4A3FABP4

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-3612520-A1 AN ISOXAZOLE DERIVATIVES AS NUCLEAR RECEPTOR AGONISTS AND USED THEREOF Il Dong Pharmaceutical Co., Ltd. (KR) 2020-02-26 EP disclosed
WO-2018190643-A1 AN ISOXAZOLE DERIVATIVES AS NUCLEAR RECEPTOR AGONISTS AND USED THEREOF IL DONG PHARMACEUTICAL CO., LTD. (KR) 2018-10-18 WO disclosed
EP-1067950-B1 NEO-TRYPTOPHAN MAYO FOUNDATION (US) 2008-05-14 EP disclosed