SCHEMBL5249598

SCHEMBL5249598

NC(=O)Oc1cccc(OCc2ccccc2)c1

nearest known ligand 0.65

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.65
MEN1 O00255 2/20 0.65
NR4A2 P43354 1/20 0.62
SPHK2 Q9NRA0 3/20 0.62
SPHK1 Q9NYA1 1/20 0.62
MAOB P27338 5/20 0.59
SMPD1 P17405 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
PARP10 Q53GL7 1/20 0.55
CYP4F2 P78329 1/20 0.55
CYP4A11 Q02928 1/20 0.55
KDM4E B2RXH2 1/20 0.55
ALDH1A1 P00352 1/20 0.55
PKM P14618 1/20 0.55
SRD5A2 P31213 1/20 0.55
SIRT2 Q8IXJ6 1/20 0.54
MAOA P21397 1/20 0.54

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
SCHEMBL5799798 0.85 PARP10 (0.70) NR4A2MAOBSMN1; SMN2PARP10SRD5A2
SCHEMBL5746820 0.84 MAOB (0.68) KMT2AMEN1NR4A2SPHK2SPHK1
SCHEMBL28647670 0.84 MEN1 (0.56) KMT2AMEN1NR4A2SPHK2SPHK1
SCHEMBL12635062 0.83 NR4A2 (0.69) KMT2AMEN1NR4A2SPHK2SPHK1
SCHEMBL1268719 0.82 MAOB (0.81) KMT2AMEN1NR4A2MAOBSMPD1
SCHEMBL9078701 0.81 KMT2A (0.56) KMT2AMEN1NR4A2SPHK2SPHK1
SCHEMBL1387246 0.81 NR4A2 (0.77) KMT2AMEN1NR4A2SPHK2MAOB
SCHEMBL2848980 0.81 NR4A2 (0.62) KMT2ANR4A2SPHK2SPHK1MAOB
SCHEMBL2774848 0.80 NR4A2 (0.66) KMT2AMEN1NR4A2SPHK2SPHK1
Hydrochloric Acid SCHEMBL27603151 0.79 NR4A2 (0.74) KMT2AMEN1NR4A2SPHK2MAOB

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
WO-2023222124-A1 5,6-DIHYDRO-1,2,4-TRIAZINE COMPOUND AND PHARMACEUTICAL USE THEREOF AS GLP-1 RECEPTOR AGONIST 中国科学院上海药物研究所 2023-11-23 WO disclosed
CN-115521297-A 5,6-dihydro-1,2,4-triazines and their pharmaceutical use as GLP-1 receptor agonists 中国科学院上海药物研究所 2022-12-27 CN disclosed
EP-1831164-A1 HETEROCYCLIC COMPOUNDS AS CCR2B ANTAGONISTS AstraZeneca AB (SE) 2007-09-12 EP disclosed
WO-2006067401-A1 HETEROCYCLIC COMPOUNDS AS CCR2B ANTAGONISTS ASTRAZENECA AB (SE) 2006-06-29 WO disclosed