SCHEMBL8628574

SCHEMBL8628574

CCCOc1ccc2nc(C(C)=O)c(O)cc2c1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 10/20 0.44
PDE3A Q14432 10/20 0.44
P2RY12 Q9H244 9/20 0.44
LMNA P02545 2/20 0.44
MAPK1 P28482 1/20 0.44
HIF1A Q16665 1/20 0.44
MAOB P27338 4/20 0.44
KMT2A Q03164 2/20 0.40
HDAC8 Q9BY41 1/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
GAA P10253 1/20 0.40

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
SCHEMBL6565261 0.95 PDE3B (0.47) PDE3BPDE3AP2RY12MAOB
SCHEMBL6567189 0.91 THRA (0.48) PDE3BPDE3AP2RY12MAOB
SCHEMBL6565238 0.87 PDE3B (0.47) PDE3BPDE3AP2RY12MAOBKMT2A
SCHEMBL1509148 0.82 EGLN1 (0.50) PDE3BPDE3AP2RY12
SCHEMBL6567169 0.81 ALDH1A1 (0.52) PDE3BPDE3AMAPK1KMT2AHDAC8
SCHEMBL6565239 0.79 PDE3B (0.49) PDE3BPDE3AMAPK1KMT2AHDAC8
SCHEMBL8628372 0.78 MEN1 (0.52) MAOBKMT2AHDAC8KDM4EMEN1
SCHEMBL8628688 0.78 HTT (0.41) PDE3BPDE3AP2RY12LMNAKMT2A
SCHEMBL964980 0.77 EGLN1 (0.50) PDE3BPDE3ALMNAALDH1A1
SCHEMBL6565253 0.77 TDP1 (0.43) KMT2AHDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1120157-C Substituted quinoline-2-carboxamides, process for their preparation and their use as pharmaceuticals, and intermediates thereof FIBER GENE CORP (US) 2003-09-03 CN disclosed
CN-1282737-A Intermediate product used for preparing substituted quinoline-2-formamide MOECHST AG (DE) 2001-02-07 CN 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
CN-1154365-A Substituted quinoline-2-carboxamides, process for their preparation and their use as pharmaceuticals, and intermediates thereof HOECHST AG (DE) 1997-07-16 CN disclosed