SCHEMBL8628865

SCHEMBL8628865

CC(=O)C(C(C)=O)C(=O)c1cc(OC(F)(F)F)ccc1[N+](=O)[O-]

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPD P32754 1/20 0.47
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
TDP1 Q9NUW8 2/20 0.41
TTR P02766 1/20 0.41
PPOX P50336 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.40
MITF O75030 1/20 0.40
MAPT P10636 2/20 0.39
HTT P42858 2/20 0.39
TP53 P04637 1/20 0.39
CASP3 P42574 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
THRB P10828 1/20 0.37
TXNRD1 Q16881 1/20 0.37
ALDH3A1 P30838 1/20 0.37
AR P10275 4/20 0.37
SIRT6 Q8N6T7 1/20 0.37
DYRK1A Q13627 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
SCHEMBL6564098 0.84 AKR1C3 (0.47) HPDTDP1SMN1; SMN2MAPTALDH1A1
SCHEMBL16961592 0.84 MEN1 (0.43) MEN1KMT2ATDP1TTRPPOX
SCHEMBL8627855 0.81 HPD (0.45) HPDMEN1KMT2ATDP1TTR
SCHEMBL3158027 0.81 MEN1 (0.57) MEN1KMT2ATDP1TTRPPOX
SCHEMBL8629336 0.80 HPD (0.52) HPDMEN1KMT2ATDP1TTR
SCHEMBL8633063 0.80 SIRT6 (0.47) HPDMEN1KMT2ATDP1TTR
SCHEMBL16960039 0.79 TXNRD1 (0.41) MEN1KMT2ATDP1TTRPPOX
SCHEMBL8630905 0.79 MAPT (0.50) HPDMEN1KMT2ATDP1SMN1; SMN2
SCHEMBL2718272 0.78 ATM (0.49) HPDMEN1KMT2ATDP1TTR
SCHEMBL16954187 0.78 MEN1 (0.39) MEN1KMT2ATDP1TTRPPOX

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