SCHEMBL8626375

SCHEMBL8626375

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.47
MAPT P10636 1/20 0.47
TSHR P16473 1/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
TTR P02766 1/20 0.47
PPOX P50336 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
DTYMK P23919 1/20 0.41
ALDH1A1 P00352 1/20 0.37
AR P10275 4/20 0.37
CASP6 P55212 1/20 0.36
KDM4E B2RXH2 2/20 0.36
AKR1B1 P15121 2/20 0.35
AKR1C4 P17516 2/20 0.35
AKR1C3 P42330 2/20 0.35
AKR1C2 P52895 2/20 0.35
AKR1C1 Q04828 2/20 0.35
AKR1B10 O60218 1/20 0.35
HTT P42858 1/20 0.35

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
SCHEMBL8626517 0.86 MAPT (0.43) USP2MAPTTSHRMEN1KMT2A
SCHEMBL8628964 0.86 KMT2A (0.50) MEN1KMT2ATTRPPOXTDP1
SCHEMBL8626514 0.84 USP2 (0.41) USP2MAPTTSHRALDH1A1AR
SCHEMBL28255788 0.83 MEN1 (0.57) MAPTMEN1KMT2ATTRPPOX
SCHEMBL8633261 0.82 MAPT (0.47) USP2MAPTTSHRMEN1KMT2A
SCHEMBL27672384 0.82 MAPT (0.44) USP2MAPTTSHRMEN1KMT2A
SCHEMBL474128 0.78 DTYMK (0.52) MAPTMEN1KMT2ATTRPPOX
SCHEMBL7460630 0.77 DTYMK (0.48) MAPTMEN1KMT2ATTRPPOX
SCHEMBL10353207 0.76 MAPT (0.53) USP2MAPTTSHRMEN1KMT2A
SCHEMBL25788236 0.75 TSHR (0.69) USP2MAPTTSHRALDH1A1

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 3 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
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