SCHEMBL8628688

SCHEMBL8628688

CC(=O)c1nc2ccc(OCC(F)(F)C(F)F)cc2cc1O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 4/20 0.41
KMT2A Q03164 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MEN1 O00255 2/20 0.37
NPSR1 Q6W5P4 2/20 0.37
CYP17A1 P05093 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
PDE3B Q13370 4/20 0.35
PDE3A Q14432 4/20 0.35
P2RY12 Q9H244 4/20 0.35
MAPT P10636 3/20 0.34
HPGD P15428 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
KDM4E B2RXH2 2/20 0.34
LMNA P02545 2/20 0.34
RAB9A P51151 1/20 0.34
PAX8 Q06710 1/20 0.34
ALDH1A1 P00352 3/20 0.34
F2 P00734 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
SCHEMBL8625570 0.87 MAPT (0.45) HTTCYP17A1CYP2C9CYP2C19PDE3B
SCHEMBL8632215 0.83 EGLN1 (0.46) HTTKMT2ASMN1; SMN2
SCHEMBL8630450 0.79 DYRK1A (0.47) KMT2ASMN1; SMN2CYP2C9KDM4ELMNA
SCHEMBL8628574 0.78 PDE3B (0.44) KMT2AMEN1PDE3BPDE3AP2RY12
SCHEMBL6565261 0.78 PDE3B (0.47) PDE3BPDE3AP2RY12
SCHEMBL6565239 0.76 PDE3B (0.49) KMT2APDE3BPDE3AHPGDKDM4E
SCHEMBL6567169 0.76 ALDH1A1 (0.52) HTTKMT2ASMN1; SMN2MEN1NPSR1
SCHEMBL6567189 0.75 THRA (0.48) PDE3BPDE3AP2RY12TSHR
SCHEMBL8626364 0.74 MEN1 (0.44) HTTKMT2ASMN1; SMN2MEN1NPSR1
SCHEMBL6565238 0.74 PDE3B (0.47) KMT2APDE3BPDE3AP2RY12

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