SCHEMBL28006901

SCHEMBL28006901

CC(C(=O)O)C(C(=O)OC(C)(C)C)c1cccc(N)c1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CPN1 P15169 1/20 0.48
CPB2 Q96IY4 1/20 0.48
ADRB2 P07550 2/20 0.39
ADRB1 P08588 2/20 0.39
ADRB3 P13945 2/20 0.39
SLC7A5 Q01650 1/20 0.38
LMNA P02545 1/20 0.36
HIF1A Q16665 1/20 0.36
KDM4E B2RXH2 1/20 0.36
PTGS1 P23219 1/20 0.35
KMT2A Q03164 3/20 0.35
TACR1 P25103 1/20 0.35
PBRM1 Q86U86 1/20 0.34
MEN1 O00255 2/20 0.34
ALDH1A1 P00352 2/20 0.34
MAPT P10636 2/20 0.34
HPGDS O60760 1/20 0.34
RECQL P46063 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34

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
SCHEMBL27493979 0.86 ADRB1 (0.40) CPN1CPB2ADRB2ADRB1ADRB3
SCHEMBL7347467 0.83 CPN1 (0.47) CPN1CPB2ADRB2ADRB1ADRB3
SCHEMBL7461910 0.83 CPN1 (0.47) CPN1CPB2ADRB2ADRB1ADRB3
SCHEMBL5796124 0.82 APP (0.47) CPN1CPB2ADRB2ADRB1ADRB3
SCHEMBL7336123 0.81 CPN1 (0.43) CPN1CPB2ADRB2ADRB1ADRB3
SCHEMBL7210714 0.80 CPN1 (0.42) CPN1CPB2ADRB2ADRB1ADRB3
SCHEMBL27494783 0.79 ADRB2 (0.40) CPN1CPB2ADRB2ADRB1ADRB3
SCHEMBL7461918 0.77 CPN1 (0.40) CPN1CPB2ADRB2ADRB1ADRB3
SCHEMBL28741995 0.77 CPN1 (0.40) CPN1CPB2ADRB2ADRB1ADRB3
SCHEMBL24851748 0.76 KMT2A (0.52) KMT2AMEN1ALDH1A1MAPTRECQL

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
CN-104470899-B The 4 isoquinolinol compounds as HIF hydroxylase inhibitors 菲布罗根有限公司 2017-12-26 CN disclosed
CN-104470899-A 4-hydroxy-isoquinoline compounds as HIF hydroxylase inhibitors FIBROGEN INC 2015-03-25 CN disclosed