SCHEMBL6564069

SCHEMBL6564069

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
TTR P02766 1/20 0.48
PPOX P50336 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
SMN1; SMN2 Q16637 4/20 0.43
LMNA P02545 3/20 0.43
ALDH1A1 P00352 1/20 0.43
POLB P06746 1/20 0.43
MAPT P10636 3/20 0.41
MAPK1 P28482 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
RECQL P46063 1/20 0.40
PTGES O14684 2/20 0.39
P2RX1 P51575 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
SCHEMBL6565266 0.86 SIRT6 (0.45) MEN1KMT2ATTRPPOXTDP1
SCHEMBL6565205 0.85 MTNR1B (0.45) TDP1SMN1; SMN2ALDH1A1POLBMAPT
SCHEMBL25245711 0.83 TDP1 (0.55) MEN1KMT2ATTRPPOXTDP1
SCHEMBL6564212 0.82 MEN1 (0.40) MEN1KMT2ATTRPPOXTDP1
SCHEMBL6567283 0.81 MEN1 (0.68) MEN1KMT2ATTRPPOXTDP1
SCHEMBL8629336 0.80 HPD (0.52) MEN1KMT2ATTRPPOXTDP1
SCHEMBL6564101 0.79 SMN1; SMN2 (0.47) MEN1KMT2ASMN1; SMN2LMNAALDH1A1
SCHEMBL10788540 0.78 TDP1 (0.50) MEN1KMT2ATTRPPOXTDP1
SCHEMBL6566219 0.77 ALDH1A1 (0.41) MEN1KMT2ATDP1SMN1; SMN2LMNA
SCHEMBL8627853 0.76 AR (0.40) MEN1KMT2ATTRPPOXTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0765871-B1 Substituted Quinoline-2-carboxamides, their preparation and their use as prolyle-4-hydroxylase Inhibitors FIBROGEN INC (US) 2004-03-31 EP 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
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