SCHEMBL4756836

SCHEMBL4756836

COC(=O)c1nsc(N)c1C(=O)OC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.45
KDM4E B2RXH2 5/20 0.39
ALDH1A1 P00352 8/20 0.38
HPGD P15428 3/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
PRKCZ Q05513 2/20 0.38
LMNA P02545 2/20 0.38
MAPT P10636 3/20 0.37
HSD17B10 Q99714 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
TSHR P16473 1/20 0.37
MAPK1 P28482 1/20 0.37
GRM6 O15303 1/20 0.37
GRM5 P41594 1/20 0.37
CISD2 Q8N5K1 1/20 0.37
PKM P14618 2/20 0.36
TP53 P04637 1/20 0.36
MDM2 Q00987 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL11698989 0.81 ALDH1A1 (0.49) NPSR1KDM4EALDH1A1HPGDMEN1
SCHEMBL4758106 0.75 CISD2 (0.39) KDM4EALDH1A1HPGDMEN1KMT2A
SCHEMBL5639460 0.75 SMN1; SMN2 (0.38) NPSR1KDM4EALDH1A1HPGDMEN1
SCHEMBL28613328 0.72 NPSR1 (0.43) NPSR1KDM4EALDH1A1HPGDMEN1
SCHEMBL13343520 0.71 NPSR1 (0.46) NPSR1KDM4EALDH1A1HPGDMEN1
SCHEMBL4115514 0.68 KDM4E (0.49) NPSR1KDM4EALDH1A1HPGDKMT2A
SCHEMBL14582767 0.68 NPSR1 (0.59) NPSR1KDM4EALDH1A1HPGDMEN1
SCHEMBL10500542 0.67 KDR (0.43) KDM4EALDH1A1HPGDMEN1KMT2A
SCHEMBL4754954 0.67 TDP1 (0.41) ALDH1A1HSD17B10L3MBTL1
SCHEMBL952325 0.67 ALDH1A1 (0.56) NPSR1KDM4EALDH1A1HPGDMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009001214-A2 THIENO[2,3-D]PYRIMIDIN-4(3H)-ONE, ISOXAZOLO[5,4-D]PYRIMIDIN-4(5H)-ONE AND ISOTHIAZOLO[5,4-D]PYRIMIDIN-4(5H)-ONE DERIVATIVES AS CALCIUM RECEPTOR ANTAGONISTS PFIZER PRODUCTS INC. (US) 2008-12-31 WO disclosed
WO-2009001214-A2 THIENO[2,3-D]PYRIMIDIN-4(3H)-ONE, ISOXAZOLO[5,4-D]PYRIMIDIN-4(5H)-ONE AND ISOTHIAZOLO[5,4-D]PYRIMIDIN-4(5H)-ONE DERIVATIVES AS CALCIUM RECEPTOR ANTAGONISTS PFIZER PRODUCTS INC. (US) 2008-12-31 WO disclosed