SCHEMBL8340565

SCHEMBL8340565

Nc1cc(C(F)(F)F)ccc1C(N)C(N)NC(=O)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC2 Q92769 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
MEN1 O00255 2/20 0.46
MAPT P10636 2/20 0.46
KMT2A Q03164 2/20 0.46
PTGS1 P23219 5/20 0.45
P2RX1 P51575 2/20 0.45
KDM4E B2RXH2 2/20 0.44
ALDH1A1 P00352 2/20 0.44
HPGD P15428 1/20 0.44
HSD17B10 Q99714 1/20 0.44
KCNK3 O14649 1/20 0.44
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
LMNA P02545 1/20 0.43
RXFP1 Q9HBX9 1/20 0.42
GAA P10253 1/20 0.42
GFER P55789 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
TAS1R3 Q7RTX0 1/20 0.41

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
SCHEMBL8342286 0.88 UTS2R (0.43) NPSR1MEN1MAPTKMT2APTGS1
SCHEMBL8342515 0.87 TSHR (0.51) HDAC2NPSR1MEN1KMT2AHSD17B10
SCHEMBL8346045 0.76 SLC1A3 (0.46) NPSR1MEN1MAPTKMT2AKDM4E
SCHEMBL8347059 0.72 MEN1 (0.47) MEN1MAPTKMT2AALDH1A1NPC1
SCHEMBL12262967 0.72 SLC1A2 (0.63) HDAC2MAPTKMT2AALDH1A1HPGD
SCHEMBL10373167 0.69 HSD17B10 (0.68) HDAC2MEN1MAPTKMT2APTGS1
SCHEMBL3486347 0.67 MAPT (0.61) HDAC2MAPTPTGS1P2RX1KDM4E
SCHEMBL8345976 0.67 ALDH1A1 (0.44) NPSR1MEN1MAPTKMT2AKDM4E
SCHEMBL13890815 0.67 GPR139 (0.65) NPSR1MEN1KMT2AALDH1A1KCNK3
SCHEMBL7058699 0.67 PTGS1 (0.45) MEN1MAPTKMT2APTGS1P2RX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5955461-A Quinoxalinedione derivatives, their production and use in pharmaceutical agents SCHERING AKTIENGESELLSCHAFT (DE) 1999-09-21 US disclosed
US-5750525-A Quinoxalinedione derivatives, their production and use in pharmaceutical agents SCHERING AKTIENGESELLSCHAFT (DE) 1998-05-12 US disclosed