SCHEMBL3659679

SCHEMBL3659679

CCOC(=O)c1nc(C#Cc2ccccc2)c2c(-c3ccccc3)noc2c1O.CCOC(=O)c1nc(I)c2c(-c3ccccc3)noc2c1O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 4/20 0.42
GRM5 P41594 1/20 0.39
CACNA1F O60840 1/20 0.38
CACNA1D Q01668 1/20 0.38
CACNA1S Q13698 1/20 0.38
CACNA1C Q13936 1/20 0.38
TARBP2 Q15633 1/20 0.38
GABRA5 P31644 1/20 0.37
ALDH1A1 P00352 7/20 0.37
KDM4E B2RXH2 3/20 0.37
HPGD P15428 3/20 0.37
HSD17B10 Q99714 2/20 0.37
KMT2A Q03164 1/20 0.37
L3MBTL1 Q9Y468 3/20 0.36
MAPK1 P28482 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
ATM Q13315 1/20 0.36
NPC1 O15118 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
SCHEMBL2775971 0.95 ADORA3 (0.45) ADORA3GRM5CACNA1FCACNA1DCACNA1S
SCHEMBL2776301 0.89 TARBP2 (0.46) ADORA3CACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL2781293 0.86 TARBP2 (0.41) ADORA3CACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL2780208 0.84 TARBP2 (0.42) ADORA3CACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL2774171 0.81 TARBP2 (0.46) ADORA3CACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL2777413 0.80 ADORA3 (0.48) ADORA3CACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL2778512 0.80 SLC26A6 (0.47) TARBP2ALDH1A1KDM4EHPGDL3MBTL1
SCHEMBL2779518 0.79 TARBP2 (0.50) TARBP2ALDH1A1KMT2AL3MBTL1SMN1; SMN2
SCHEMBL2774203 0.78 TARBP2 (0.45) ADORA3CACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL2776836 0.78 KDM4E (0.46) ADORA3CACNA1FCACNA1DCACNA1SCACNA1C

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
EP-2227475-A1 ISOXAZOLOPYRIDINE DERIVATIVES FOR USE IN THE TREATMENT OF HIF-MEDIATED CONDITIONS Fibrogen, Inc. (US) 2010-09-15 EP disclosed
WO-2009073669-A1 ISOXAZOLOPYRIDINE DERIVATIVES FOR USE IN THE TREATMENT OF HIF-MEDIATED CONDITIONS FIBROGEN, INC. (US) 2009-06-11 WO disclosed