SCHEMBL5381933

SCHEMBL5381933

O=C(O)Cc1c[nH]nc1-c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.49
ALDH1A1 P00352 1/20 0.49
AKR1B1 P15121 2/20 0.44
PTGDR2 Q9Y5Y4 5/20 0.44
POLB P06746 1/20 0.44
NR4A1 P22736 1/20 0.44
NR4A2 P43354 1/20 0.44
NR4A3 Q92570 1/20 0.44
LMNA P02545 2/20 0.43
PTGS1 P23219 2/20 0.43
GAA P10253 2/20 0.43
ABCC4 O15439 1/20 0.43
TSHR P16473 1/20 0.43
HTT P42858 1/20 0.43
CYP1A2 P05177 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.41
DRD2 P14416 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
MMP1 P03956 1/20 0.40

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
SCHEMBL11123121 0.80 ALOX15 (0.43) KDM4EALDH1A1LMNAPTGS1GAA
SCHEMBL28940885 0.80 RXRA (0.50) KDM4EALDH1A1NR4A1NR4A2NR4A3
SCHEMBL18901018 0.77 DPP4 (0.44) KDM4EALDH1A1LMNAGAASMN1; SMN2
SCHEMBL28861332 0.77 ALOX15 (0.43) KDM4EALDH1A1LMNAGAASMN1; SMN2
SCHEMBL28583866 0.77 ALOX15 (0.43) KDM4EALDH1A1LMNAGAATSHR
SCHEMBL6323192 0.76 IDO1 (0.39) KDM4EALDH1A1LMNAGAASMN1; SMN2
SCHEMBL17119910 0.76 ALOX15 (0.39) KDM4EALDH1A1LMNAGAASMN1; SMN2
SCHEMBL9185329 0.76 AKR1B1 (0.41) KDM4EALDH1A1AKR1B1POLBLMNA
SCHEMBL7592767 0.74 NR4A2 (0.52) NR4A2CYP1A2SMN1; SMN2
SCHEMBL20449061 0.74 TAAR1 (0.41) KDM4EALDH1A1GAACYP1A2SMN1; SMN2

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 5 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-1457490-A1 5-membered N-heterocyclic compounds with hypoglycemic and hypolipidemic activity Takeda Chemical Industries, Ltd. (JP) 2004-09-15 EP disclosed
EP-1228067-B1 5-MEMBERED N-HETEROCYCLIC COMPOUNDS WITH HYPOGLYCEMIC AND HYPOLIPIDEMIC ACTIVITY TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2004-07-14 EP 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