SCHEMBL8629336

SCHEMBL8629336

CC(=O)C(C(C)=O)C(=O)c1cc(Oc2cccc(C(F)(F)F)c2)ccc1[N+](=O)[O-]

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPD P32754 1/20 0.52
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
TDP1 Q9NUW8 2/20 0.50
TTR P02766 1/20 0.50
PPOX P50336 1/20 0.50
LMNA P02545 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
ALDH1A1 P00352 1/20 0.42
POLB P06746 1/20 0.42
MAPT P10636 4/20 0.42
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
RECQL P46063 1/20 0.41
MAPK1 P28482 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
PTGES O14684 2/20 0.39
AKR1B1 P15121 1/20 0.39
AKR1C4 P17516 1/20 0.39

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
SCHEMBL8633063 0.85 SIRT6 (0.47) HPDMEN1KMT2ATDP1TTR
SCHEMBL8630071 0.84 PIN1 (0.46) TDP1SMN1; SMN2POLBMAPTMAPK1
SCHEMBL6567283 0.84 MEN1 (0.68) MEN1KMT2ATDP1TTRPPOX
SCHEMBL25245711 0.83 TDP1 (0.55) MEN1KMT2ATDP1TTRPPOX
SCHEMBL10788540 0.83 TDP1 (0.50) MEN1KMT2ATDP1TTRPPOX
SCHEMBL8628865 0.80 HPD (0.47) HPDMEN1KMT2ATDP1TTR
SCHEMBL6564069 0.80 MEN1 (0.48) MEN1KMT2ATDP1TTRPPOX
SCHEMBL6567167 0.78 MAPT (0.49) MEN1KMT2ATDP1TTRPPOX
SCHEMBL6564098 0.77 AKR1C3 (0.47) HPDTDP1LMNASMN1; SMN2ALDH1A1
SCHEMBL11126332 0.77 TDP1 (0.58) HPDMEN1KMT2ATDP1TTR

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
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