SCHEMBL5376863

SCHEMBL5376863

CCC(C(=O)O)c1c[nH]nc1-c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 3/20 0.39
HPGDS O60760 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
KDM4E B2RXH2 2/20 0.37
LMNA P02545 1/20 0.37
HTT P42858 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
RAB9A P51151 1/20 0.37
JAK2 O60674 1/20 0.36
JAK3 P52333 1/20 0.36
ADORA3 P0DMS8 2/20 0.36
TTK P33981 1/20 0.36
KCNQ2 O43526 1/20 0.36
MAPT P10636 1/20 0.36
ALDH1A1 P00352 1/20 0.36
AKR1C3 P42330 1/20 0.36
AKR1C2 P52895 1/20 0.36
RXRA P19793 1/20 0.35
ADORA1 P30542 3/20 0.35
ADORA2A P29274 2/20 0.35

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
SCHEMBL18885139 0.78 TSHR (0.42) HPGDSSMN1; SMN2KDM4ETTKMAPT
SCHEMBL7592767 0.74 NR4A2 (0.52) NR4A2HPGDSSMN1; SMN2ADORA1ADORA2A
SCHEMBL11621963 0.74 HSP90AA1 (0.46) SMN1; SMN2KDM4ELMNARAB9AADORA3
SCHEMBL25165566 0.73 TTK (0.40) HPGDSSMN1; SMN2KDM4EL3MBTL1RAB9A
SCHEMBL9294341 0.73 KCNQ2 (0.53) SMN1; SMN2KDM4ELMNAHTTL3MBTL1
SCHEMBL6567687 0.71 ALOX15 (0.37) SMN1; SMN2KDM4ELMNARAB9AJAK2
SCHEMBL11123121 0.71 ALOX15 (0.43) HPGDSSMN1; SMN2KDM4ELMNARAB9A
SCHEMBL16156938 0.70 ALOX15 (0.39) SMN1; SMN2KDM4ETTKMAPTALDH1A1
SCHEMBL27545130 0.70 KDM4E (0.43) HPGDSSMN1; SMN2KDM4ELMNAL3MBTL1
SCHEMBL2921221 0.69 JAK2 (0.57) HPGDSSMN1; SMN2KDM4ELMNAL3MBTL1

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
US-7179823-B1 5-membered n-heterocyclic compounds with hypoglycemic and hypolipidemic activity TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-02-20 US disclosed
EP-1228067-A1 5-MEMBERED N-HETEROCYCLIC COMPOUNDS WITH HYPOGYLCEMIC AND HYPOLIPIDEMIC ACTIVITY Takeda Chemical Industries, Ltd. (JP) 2002-08-07 EP disclosed
WO-2001038325-A1 5-MEMBERED N-HETEROCYCLIC COMPOUNDS WITH HYPOGLYCEMIC AND HYPOLIPIDEMIC ACTIVITY TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-05-31 WO disclosed