SCHEMBL4797971

SCHEMBL4797971

NN(C(=O)c1cc2ccccc2[nH]1)c1nc(-c2ccc(-c3ccccc3)cc2)cs1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.44
MAPT P10636 2/20 0.44
DAO P14920 1/20 0.44
HPGD P15428 1/20 0.44
SRD5A2 P31213 1/20 0.44
HSD17B10 Q99714 1/20 0.44
NPC1 O15118 4/20 0.42
RAB9A P51151 4/20 0.42
KMT2A Q03164 3/20 0.42
FLT3 P36888 1/20 0.42
LMNA P02545 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MEN1 O00255 2/20 0.41
CDK5 Q00535 1/20 0.41
CDK5R1 Q15078 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
GRM1 Q13255 1/20 0.41
ALOX15 P16050 1/20 0.41
ALDH1A1 P00352 2/20 0.41
NFKB1 P19838 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
SCHEMBL4795138 0.90 RAB9A (0.46) KDM4EMAPTDAOHPGDSRD5A2
SCHEMBL4797498 0.89 KDM4E (0.42) KDM4EMAPTDAOHPGDSRD5A2
SCHEMBL4797332 0.84 MAPT (0.44) KDM4EMAPTNPC1RAB9AKMT2A
SCHEMBL4797913 0.83 HSD17B10 (0.44) KDM4EMAPTDAOHPGDSRD5A2
SCHEMBL4798176 0.80 GRM1 (0.55) KDM4EMAPTHPGDHSD17B10NPC1
SCHEMBL4797456 0.75 GRM1 (0.48) KDM4EMAPTHPGDHSD17B10NPC1
SCHEMBL4800674 0.74 GRM1 (0.57) KDM4EMAPTNPC1RAB9AKMT2A
SCHEMBL4795401 0.74 GRM1 (0.61) KDM4EMAPTNPC1RAB9AKMT2A
SCHEMBL3337375 0.73 MAPT (0.61) KDM4EMAPTHPGDNPC1RAB9A
SCHEMBL4799960 0.72 GRM1 (0.63) KDM4EMAPTHPGDHSD17B10NPC1

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