SCHEMBL6565266

SCHEMBL6565266

CC(=O)CC(=O)CC(=O)c1cc(Oc2ccccc2)ccc1[N+](=O)[O-]

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT6 Q8N6T7 1/20 0.45
TDP1 Q9NUW8 2/20 0.42
XDH P47989 1/20 0.42
KDM4E B2RXH2 1/20 0.41
FFAR1 O14842 2/20 0.41
AKR1C3 P42330 2/20 0.41
AKR1C2 P52895 2/20 0.41
AKR1B10 O60218 1/20 0.41
AKR1B1 P15121 1/20 0.41
AKR1C4 P17516 1/20 0.41
AKR1C1 Q04828 1/20 0.41
TLR4 O00206 1/20 0.41
TLR2 O60603 1/20 0.41
ERCC5 P28715 2/20 0.40
FEN1 P39748 2/20 0.40
HPGD P15428 1/20 0.40
HPSE Q9Y251 1/20 0.40
SMN1; SMN2 Q16637 4/20 0.39
NPC1 O15118 2/20 0.39
POLB P06746 2/20 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
SCHEMBL6565205 0.90 MTNR1B (0.45) TDP1KDM4EAKR1C3AKR1C2AKR1B10
SCHEMBL6564069 0.86 MEN1 (0.48) TDP1AKR1C3AKR1C2AKR1B1AKR1C4
SCHEMBL6564101 0.85 SMN1; SMN2 (0.47) AKR1C3AKR1C2AKR1B10AKR1B1AKR1C4
SCHEMBL6566219 0.83 ALDH1A1 (0.41) TDP1AKR1C3AKR1C2AKR1B10AKR1B1
SCHEMBL6566280 0.81 MAPT (0.48) TDP1AKR1C3AKR1C2AKR1C1TLR4
SCHEMBL6564212 0.81 MEN1 (0.40) TDP1HPGDSMN1; SMN2POLBMAPT
SCHEMBL2724028 0.80 TDP1 (0.62) SIRT6TDP1XDHKDM4EFFAR1
SCHEMBL3889423 0.79 MEN1 (0.55) SIRT6TDP1KDM4EFFAR1AKR1C3
SCHEMBL6564011 0.79 CTSD (0.55) TDP1KDM4EHPGDSMN1; SMN2MAPT
SCHEMBL6567534 0.79 ABCC9 (0.45) HPGDSMN1; SMN2POLBRAB9AMAPT

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