SCHEMBL4797913

SCHEMBL4797913

NN(C(=O)c1cc2ccccc2[nH]1)c1nc(-c2ccccc2Br)cs1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.44
FLT3 P36888 1/20 0.41
KDM4E B2RXH2 2/20 0.40
MAPT P10636 1/20 0.40
DAO P14920 1/20 0.40
HPGD P15428 1/20 0.40
SRD5A2 P31213 1/20 0.40
ALDH1A1 P00352 1/20 0.40
GAA P10253 1/20 0.40
MAPK1 P28482 1/20 0.40
CDK5 Q00535 4/20 0.38
CDK5R1 Q15078 4/20 0.38
NPC1 O15118 1/20 0.38
LMNA P02545 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ATP4A P20648 1/20 0.37
ATP4B P51164 1/20 0.37
CCKAR P32238 1/20 0.37
CCKBR P32239 1/20 0.37

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
SCHEMBL4797971 0.83 KDM4E (0.44) HSD17B10FLT3KDM4EMAPTDAO
SCHEMBL4795138 0.83 RAB9A (0.46) HSD17B10FLT3KDM4EMAPTDAO
SCHEMBL4797498 0.80 KDM4E (0.42) HSD17B10FLT3KDM4EMAPTDAO
SCHEMBL4797332 0.75 MAPT (0.44) KDM4EMAPTALDH1A1GAAMAPK1
SCHEMBL3338990 0.74 CA12 (0.48) KDM4EMAPTALDH1A1GAAMAPK1
SCHEMBL4801840 0.72 CHEK1 (0.43) HSD17B10FLT3KDM4EMAPTDAO
SCHEMBL14582115 0.65 CDK5 (0.57) CDK5CDK5R1NPC1LMNARAB9A
SCHEMBL4782600 0.65 GRM1 (0.51) KDM4EMAPTALDH1A1GAAMAPK1
SCHEMBL7880974 0.64 FLT3 (0.56) HSD17B10FLT3KDM4EMAPTDAO
SCHEMBL29595772 0.64 FLT3 (0.65) HSD17B10FLT3KDM4EMAPTDAO

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