SCHEMBL11201745

SCHEMBL11201745

NC(=O)c1c(C(F)(F)F)nc2ccccc2c1O

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 7/20 0.42
ALDH1A1 P00352 2/20 0.42
GAA P10253 2/20 0.42
DHODH Q02127 2/20 0.41
PDE10A Q9Y233 1/20 0.41
KDM4E B2RXH2 2/20 0.41
MAPT P10636 1/20 0.41
BACE1 P56817 1/20 0.40
NPC1 O15118 1/20 0.39
LMNA P02545 1/20 0.39
POLB P06746 1/20 0.39
ELANE P08246 1/20 0.39
PKM P14618 1/20 0.39
KHK P50053 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
SCHEMBL394890 0.88 DHODH (0.50) ALDH1A1GAADHODHPDE10AKDM4E
Hydrochloric Acid SCHEMBL11375365 0.86 DHODH (0.49) ALDH1A1GAADHODHPDE10AKDM4E
SCHEMBL11375363 0.86 GAA (0.46) ALDH1A1GAADHODHPDE10AKDM4E
SCHEMBL6669896 0.85 DHODH (0.41) GRM2DHODHPDE10AELANE
SCHEMBL14471222 0.85 ALDH1A1 (0.42) ALDH1A1GAADHODHPDE10AKDM4E
SCHEMBL8124347 0.80 GRM2 (0.48) GRM2DHODHPDE10A
SCHEMBL30713425 0.79 DHODH (0.46) GRM2DHODHPDE10AKDM4EPOLB
SCHEMBL399026 0.78 SMN1; SMN2 (0.52) ALDH1A1GAAKDM4EMAPTNPC1
SCHEMBL12693813 0.77 ERN1 (0.53) ALDH1A1GAAKDM4EMAPTBACE1
SCHEMBL3226084 0.76 DHODH (0.44) GRM2DHODHPDE10A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0012639-B1 QUINOLEIN-3-CARBOXYLIC ACID DERIVATIVES, PROCESS FOR THEIR PREPARATION, THEIR USE IN MEDICINES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM ROUSSEL-UCLAF (FR) 1983-09-07 EP disclosed