SCHEMBL4797456

SCHEMBL4797456

NN(C(=O)c1ccc2ccccc2c1)c1nc(-c2ccccc2)cs1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM1 Q13255 4/20 0.48
NPC1 O15118 5/20 0.47
RAB9A P51151 5/20 0.47
ALOX15 P16050 1/20 0.47
KMT2A Q03164 5/20 0.46
MEN1 O00255 4/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
KDM4E B2RXH2 3/20 0.45
CSNK2A1 P68400 2/20 0.45
GSTO1 P78417 2/20 0.44
NPSR1 Q6W5P4 1/20 0.43
MAPT P10636 2/20 0.43
NFKB1 P19838 2/20 0.43
NFKB2 Q00653 2/20 0.43
RELA Q04206 2/20 0.43
ALDH1A1 P00352 2/20 0.43
AR P10275 1/20 0.43
GFER P55789 1/20 0.43
USP2 O75604 1/20 0.42

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
SCHEMBL4782600 0.91 GRM1 (0.51) GRM1NPC1RAB9AKMT2AMEN1
SCHEMBL4798176 0.87 GRM1 (0.55) GRM1NPC1RAB9AALOX15KMT2A
SCHEMBL4780726 0.87 MAPT (0.53) NPC1RAB9AKMT2AMEN1SMN1; SMN2
SCHEMBL4802240 0.85 RAB9A (0.47) GRM1NPC1RAB9AALOX15KMT2A
SCHEMBL3341175 0.84 GRM1 (0.59) GRM1NPC1RAB9AALOX15KMT2A
SCHEMBL4797120 0.84 GRM1 (0.59) GRM1NPC1RAB9AALOX15KMT2A
SCHEMBL4799024 0.82 KMT2A (0.53) GRM1NPC1RAB9AALOX15KMT2A
SCHEMBL4800674 0.81 GRM1 (0.57) GRM1NPC1RAB9AALOX15KMT2A
SCHEMBL4845367 0.81 RAB9A (0.45) GRM1NPC1RAB9AKMT2AMEN1
SCHEMBL4780298 0.79 MIF (0.53) NPC1RAB9AKMT2AMEN1SMN1; SMN2

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-2008052804-A1 THIAZOLHYDRAZIDES FOR TREATMENT OF NEURODEGENERATIVE DISEASES MAX-PLANCK-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2008-05-08 WO claimed