SCHEMBL5026544

SCHEMBL5026544

N#Cc1c(-c2ccccc2)ccc(C(=O)O)c1F

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 1/20 0.43
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HNF4A P41235 1/20 0.41
GRIA2 P42262 1/20 0.41
GRIA4 P48058 1/20 0.41
XDH P47989 1/20 0.40
SLC22A12 Q96S37 1/20 0.40
PTPN1 P18031 2/20 0.40
PTPN2 P17706 1/20 0.40
PTPN6 P29350 1/20 0.40
MAPK1 P28482 1/20 0.39
ACMSD Q8TDX5 1/20 0.39
ATM Q13315 1/20 0.39
AKR1C2 P52895 2/20 0.38
AKR1C1 Q04828 2/20 0.38
FABP3 P05413 1/20 0.38
FABP4 P15090 1/20 0.38
FABP5 Q01469 1/20 0.38

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
SCHEMBL29788088 0.87 AKR1C2 (0.41) FOLH1KDM4EALDH1A1SMN1; SMN2HNF4A
SCHEMBL28153772 0.82 HNF4A (0.54) FOLH1KDM4EALDH1A1SMN1; SMN2HNF4A
SCHEMBL5728666 0.79 HNF4A (0.48) FOLH1KDM4EALDH1A1HNF4APTPN1
SCHEMBL16911507 0.78 HNF4A (0.58) FOLH1KDM4EALDH1A1SMN1; SMN2HNF4A
SCHEMBL2080480 0.78 CES2 (0.41) KDM4ESMN1; SMN2GRIA2GRIA4XDH
SCHEMBL2569037 0.78 ALDH1A1 (0.44) KDM4EALDH1A1SMN1; SMN2MAPK1ATM
SCHEMBL17799572 0.77 HNF4A (0.56) FOLH1KDM4EALDH1A1SMN1; SMN2HNF4A
SCHEMBL16122421 0.76 ALDH1A1 (0.42) KDM4EALDH1A1SMN1; SMN2MAPK1ATM
SCHEMBL2652913 0.75 MAPK1 (0.46) KDM4EALDH1A1SMN1; SMN2MAPK1ATM
SCHEMBL28871241 0.75 ALDH1A1 (0.43) KDM4EALDH1A1SMN1; SMN2MAPK1ATM

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
WO-2008092072-A2 MODULATORS OF THE METABOTROPIC GLUTAMATE RECEPTOR SUBTYPE 5 AND USES THEREOF GOVERNMENT OF THE UNITED STATES OF AMERICA, REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2008-07-31 WO disclosed