SCHEMBL28040565

SCHEMBL28040565

NCc1ccc(-c2nnc(N)s2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 10/20 0.63
MGAM O43451 5/20 0.63
GAA P10253 5/20 0.63
SI P14410 5/20 0.63
MGAM2 Q2M2H8 5/20 0.63
ALDH1A1 P00352 5/20 0.63
SMN1; SMN2 Q16637 4/20 0.63
LMNA P02545 2/20 0.63
NOTUM Q6P988 1/20 0.63
RAB9A P51151 6/20 0.60
HSD17B10 Q99714 3/20 0.60
HPGD P15428 2/20 0.60
NPC1 O15118 4/20 0.58
MAPT P10636 3/20 0.58
TP53 P04637 2/20 0.58
CSNK2A2 P19784 1/20 0.56
CSNK2B P67870 1/20 0.56
CSNK2A1 P68400 1/20 0.56
L3MBTL1 Q9Y468 2/20 0.54
MEN1 O00255 1/20 0.51

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
SCHEMBL28070119 0.87 HRH3 (0.59) KDM4EMGAMGAASIMGAM2
SCHEMBL27782823 0.84 KDM4E (0.61) KDM4EMGAMGAASIMGAM2
SCHEMBL10163324 0.82 KDM4E (0.68) KDM4EMGAMGAASIMGAM2
SCHEMBL28851907 0.81 KDM4E (0.70) KDM4EMGAMGAASIMGAM2
SCHEMBL20704323 0.80 TAAR1 (0.65) MGAMGAASIMGAM2ALDH1A1
SCHEMBL13514087 0.79 KDM4E (0.79) KDM4EMGAMGAASIMGAM2
Hydrochloric Acid SCHEMBL20703938 0.78 TAAR1 (0.63) MGAMGAASIMGAM2ALDH1A1
SCHEMBL10131103 0.78 KDM4E (0.65) KDM4EMGAMGAASIMGAM2
SCHEMBL23918236 0.78 KDM4E (0.66) KDM4EMGAMGAASIMGAM2
SCHEMBL1143313 0.78 KDM4E (0.66) KDM4EMGAMGAASIMGAM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102225918-B One class 1,2,3-thiadiazole formoxyl ureide compound and its production and use LIER CHEMICAL CO., LTD. (CN) 2016-04-20 CN disclosed
CN-105228982-A 3-acetylamino-1- (phenyl-heteroaryl-aminocarbonyl or phenyl-heteroaryl-carbonylamino) benzene derivatives for the treatment of hyperproliferative disorders Bayer Pharma AG 2016-01-06 CN disclosed
CN-102225918-A 1,2,3-thiadiazole formyl urea compounds as well as preparation method and application thereof LIER CHEMICAL CO LTD 2011-10-26 CN disclosed