SCHEMBL9618538

SCHEMBL9618538

C=CCc1cccc(CC=C)c1N=C=N

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 4/20 0.46
GABRB2 P47870 4/20 0.46
KMT2A Q03164 5/20 0.36
MEN1 O00255 4/20 0.36
MAPT P10636 3/20 0.36
GAA P10253 3/20 0.36
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 1/20 0.36
CASP1 P29466 1/20 0.36
HSD17B10 Q99714 1/20 0.36
AKR1B1 P15121 1/20 0.36
LMNA P02545 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.34
MAPK1 P28482 1/20 0.34
ALOX12 P18054 1/20 0.33
AURKA O14965 1/20 0.33
DAPK3 O43293 1/20 0.33
MAP4K4 O95819 1/20 0.33
RET P07949 1/20 0.33
IGF1R P08069 1/20 0.33

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
SCHEMBL17063571 0.78 GABRA1 (0.40) GABRA1GABRB2KMT2AMEN1MAPT
SCHEMBL10989031 0.77 GABRA1 (0.50) GABRA1GABRB2KMT2AMEN1MAPT
SCHEMBL2316422 0.75 GABRA1 (0.67) GABRA1GABRB2ALDH1A1LMNA
SCHEMBL10991179 0.74 GABRA1 (0.50) GABRA1GABRB2KMT2AMEN1GAA
SCHEMBL9325896 0.73 GABRA1 (0.49) GABRA1GABRB2KMT2AMEN1MAPT
SCHEMBL28474947 0.72 GABRA1 (0.50) GABRA1GABRB2
SCHEMBL18244821 0.72 GABRA1 (0.47) GABRA1GABRB2
SCHEMBL5824091 0.71 GABRA1 (0.58) GABRA1GABRB2KMT2AMEN1MAPT
SCHEMBL173300 0.70 GABRA1 (0.56) GABRA1GABRB2KMT2AMEN1MAPT
SCHEMBL29763626 0.70 GABRA1 (0.56) GABRA1GABRB2KMT2AMEN1MAPT

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
JP-4312568-A None JP disclosed
JP-H04312568-A PRODUCTION OF N,N'-BIS(2,6-DIALKYLPHENYL)THIOUREA KAWAGUCHI KAGAKU KOGYO KK 1992-11-04 JP disclosed