SCHEMBL28036629

SCHEMBL28036629

O=C(O)CCNC(=O)c1c(O)c2ccc(Cl)cc2sc1=O

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BCKDK O14874 1/20 0.40
MCL1 Q07820 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
EGLN2 Q96KS0 1/20 0.39
EGLN1 Q9GZT9 1/20 0.39
EGLN3 Q9H6Z9 1/20 0.39
MAPK1 P28482 1/20 0.39
HIF1A Q16665 3/20 0.38
NPSR1 Q6W5P4 2/20 0.38
GCGR P47871 2/20 0.38
MAPT P10636 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
LMNA P02545 1/20 0.37
GAA P10253 1/20 0.37

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
SCHEMBL2471802 0.88 EGLN3 (0.49) EGLN2EGLN1EGLN3HIF1A
SCHEMBL28796651 0.78 BCKDK (0.38) BCKDKMCL1RXFP1NPC1RAB9A
SCHEMBL2470254 0.78 EGLN1 (0.47) EGLN2EGLN1EGLN3HIF1A
SCHEMBL2468473 0.76 KDM4C (0.44) BCKDKMCL1RXFP1NPC1RAB9A
SCHEMBL2468471 0.76 KDM4C (0.44) BCKDKMCL1RXFP1NPC1RAB9A
SCHEMBL2472663 0.76 HIF1A (0.46) EGLN2EGLN1EGLN3HIF1A
SCHEMBL2469098 0.75 BCKDK (0.42) BCKDKMCL1RXFP1NPC1RAB9A
SCHEMBL2469231 0.74 EGLN1 (0.47) NPC1RAB9AEGLN1HIF1AMAPT
SCHEMBL2470665 0.73 HIF1A (0.51) EGLN2EGLN1EGLN3HIF1A
SCHEMBL2469283 0.73 EGLN1 (0.58) EGLN1EGLN3HIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105037323-A Thiochromene derivatives as HIF hydroxylase inhibitors FIBROGEN INC 2015-11-11 CN disclosed