SCHEMBL6238617

SCHEMBL6238617

COc1cc(C(=O)O)c(N(C(=O)Nc2ccccc2)C(F)(F)F)cc1OC

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.53
ALDH1A1 P00352 4/20 0.53
HPGD P15428 3/20 0.53
HSD17B10 Q99714 2/20 0.53
NPSR1 Q6W5P4 1/20 0.53
RCE1 Q9Y256 1/20 0.53
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
GFER P55789 1/20 0.43
MAPT P10636 4/20 0.42
KCNK3 O14649 2/20 0.41
KCNK9 Q9NPC2 2/20 0.41
TP53 P04637 2/20 0.40
TSHR P16473 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
PDE10A Q9Y233 1/20 0.40
NPC1 O15118 1/20 0.40
STAT1 P42224 1/20 0.40
RAB9A P51151 1/20 0.40
CHEK1 O14757 1/20 0.40

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
SCHEMBL6240382 0.84 AKR1C3 (0.48) KDM4EALDH1A1HPGDHSD17B10NPSR1
SCHEMBL6244432 0.80 GRIK1 (0.49) KDM4EALDH1A1HPGDHSD17B10MEN1
SCHEMBL6242465 0.79 MPO (0.44) ALDH1A1HPGDMEN1KMT2AMAPT
SCHEMBL6240932 0.78 MPO (0.45) KDM4EALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL24193545 0.73 LMNA (0.55) ALDH1A1MEN1KMT2AMAPTTP53
SCHEMBL6245588 0.71 HPGD (0.47) KDM4EALDH1A1HPGDHSD17B10MEN1
SCHEMBL27728396 0.71 MEN1 (0.51) ALDH1A1HSD17B10NPSR1MEN1KMT2A
SCHEMBL6238605 0.68 CMA1 (0.40) KDM4EALDH1A1HPGDHSD17B10NPSR1
SCHEMBL6647328 0.67 LCK (0.56) KDM4EALDH1A1HPGDHSD17B10NPSR1
SCHEMBL20745310 0.67 KDM4E (0.71) KDM4EALDH1A1HPGDHSD17B10NPSR1

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-2005023238-A1 ERG CHANNEL OPENERS FOR THE TREATMENT OF HYPEREXCITABILITY-RELATED NEURONAL DISEASES POSEIDON PHARMACEUTICALS A/S (DK) 2005-03-17 WO claimed