SCHEMBL5090728

SCHEMBL5090728

CC(C)Oc1ccc2nc(C(=O)[AsH]CC(=O)O)c(O)cc2c1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 4/20 0.42
PDE3A Q14432 4/20 0.42
EGLN1 Q9GZT9 1/20 0.41
ALDH1A1 P00352 2/20 0.37
KMT2A Q03164 1/20 0.35
MCL1 Q07820 1/20 0.35
MAPT P10636 2/20 0.34
TP53 P04637 1/20 0.34
P2RY12 Q9H244 3/20 0.33
PDE2A O00408 1/20 0.33
HPGD P15428 1/20 0.33
TSHR P16473 1/20 0.33
HSD17B10 Q99714 1/20 0.33
POLB P06746 1/20 0.33
LMNA P02545 1/20 0.33
ABL1 P00519 1/20 0.33
FFAR4 Q5NUL3 1/20 0.33
KDM4E B2RXH2 1/20 0.33

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
SCHEMBL6565239 0.79 PDE3B (0.49) PDE3BPDE3AEGLN1ALDH1A1KMT2A
SCHEMBL705929 0.79 EGLN1 (0.62) PDE3BPDE3AEGLN1
SCHEMBL22288463 0.77 PDE3B (0.44) PDE3BPDE3AEGLN1ALDH1A1KMT2A
SCHEMBL27878745 0.76 PDE3B (0.46) PDE3BPDE3AEGLN1ALDH1A1KMT2A
SCHEMBL6535849 0.68 KDM4E (0.51) PDE3BPDE3AALDH1A1HPGDHSD17B10
SCHEMBL8629707 0.66 MCL1 (0.51) PDE3BPDE3AALDH1A1KMT2AMCL1
SCHEMBL13310734 0.66 PDE3B (0.46) PDE3BPDE3AEGLN1ALDH1A1KMT2A
SCHEMBL6565865 0.66 EGLN1 (0.57) EGLN1ALDH1A1HPGDPOLBKDM4E
SCHEMBL6567169 0.66 ALDH1A1 (0.52) PDE3BPDE3AALDH1A1KMT2AMAPT
SCHEMBL8628366 0.65 MCL1 (0.47) PDE3BPDE3AKMT2AMCL1MAPT

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-1919463-A2 USE OF HIF 1ALFA MODULATORS FOR TREATMENT OF CANCER FIBROGEN, INC. (US) 2008-05-14 EP disclosed
WO-2006138511-A2 USE OF HIF 1ALFA MODULATORS FOR TREATMENT OF CANCER FIBROGEN, INC. (US) 2006-12-28 WO disclosed