SCHEMBL6565239

SCHEMBL6565239

CC(=O)c1nc2ccc(OC(C)C)cc2cc1O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 2/20 0.49
PDE3A Q14432 2/20 0.49
ALDH1A1 P00352 3/20 0.41
POLB P06746 1/20 0.40
EGLN1 Q9GZT9 1/20 0.39
KMT2A Q03164 1/20 0.39
PARP10 Q53GL7 1/20 0.38
MCL1 Q07820 1/20 0.38
ABL1 P00519 1/20 0.38
HPGD P15428 2/20 0.38
F2 P00734 1/20 0.38
GLA P06280 1/20 0.38
CYP3A4 P08684 1/20 0.37
MAPK1 P28482 1/20 0.37
HDAC3 O15379 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
KDM4E B2RXH2 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
SCHEMBL6567169 0.85 ALDH1A1 (0.52) PDE3BPDE3AALDH1A1POLBKMT2A
SCHEMBL22288463 0.82 PDE3B (0.44) PDE3BPDE3AALDH1A1POLBEGLN1
SCHEMBL6565253 0.80 TDP1 (0.43) EGLN1KMT2AHDAC8
SCHEMBL8630450 0.80 DYRK1A (0.47) EGLN1KMT2ACYP3A4MAPK1KDM4E
SCHEMBL5090728 0.79 PDE3B (0.42) PDE3BPDE3AALDH1A1POLBEGLN1
SCHEMBL705929 0.79 EGLN1 (0.62) PDE3BPDE3AEGLN1
SCHEMBL6565261 0.79 PDE3B (0.47) PDE3BPDE3A
SCHEMBL6564111 0.77 MTNR1B (0.48) ALDH1A1POLBKMT2AABL1HPGD
SCHEMBL8632228 0.76 MEN1 (0.50) PDE3BPDE3AALDH1A1KMT2AMAPK1
SCHEMBL6567189 0.76 THRA (0.48) PDE3BPDE3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0765871-B1 Substituted Quinoline-2-carboxamides, their preparation and their use as prolyle-4-hydroxylase Inhibitors FIBROGEN INC (US) 2004-03-31 EP disclosed
US-5726305-A Substituted quinoline-2-carboxamides, their preparation and their use as pharmaceuticals, and intermediates HOECHST AKTIENGESELLSCHAFT (DE) 1998-03-10 US disclosed
US-5719164-A Substituted quinoline-2-carboxamides, their preparation and their use as pharmaceuticals, and intermediates HOECHST AKTIENGESELLSCHAFT (DE) 1998-02-17 US disclosed
EP-0765871-A1 Substituted Quinoline-2-carboxamides, their preparation and their use as prolyle-4-hydroxylase Inhibitors HOECHST AKTIENGESELLSCHAFT (DE) 1997-04-02 EP disclosed