SCHEMBL19005458

SCHEMBL19005458

C=CC(C)Nc1cccc(NC(C)=CC)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
HSD17B10 Q99714 4/20 0.35
TSHR P16473 1/20 0.35
MAPT P10636 4/20 0.35
RAB9A P51151 3/20 0.35
NPC1 O15118 2/20 0.35
TP53 P04637 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
MAPK1 P28482 2/20 0.35
POLB P06746 1/20 0.34
NR4A1 P22736 1/20 0.34
ALDH1A1 P00352 3/20 0.33
HTT P42858 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
TGM2 P21980 1/20 0.33
CYP1A2 P05177 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
KDM4E B2RXH2 2/20 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
SCHEMBL19005462 0.85 TDP1 (0.38) MEN1KMT2AHSD17B10TSHRMAPT
SCHEMBL19005463 0.81 RAB9A (0.46) MEN1KMT2AHSD17B10MAPTRAB9A
SCHEMBL19005460 0.79 MEN1 (0.41) MEN1KMT2AHSD17B10TSHRMAPT
SCHEMBL19005461 0.78 MEN1 (0.35) MEN1KMT2ATDP1
SCHEMBL2350755 0.72 TDP1 (0.56) MEN1KMT2AHSD17B10TSHRMAPK1
SCHEMBL27337982 0.72 TDP1 (0.56) MEN1KMT2AHSD17B10TSHRMAPK1
SCHEMBL12113186 0.67 MAPT (0.61) MEN1KMT2AHSD17B10TSHRMAPT
SCHEMBL9253909 0.67 MAPT (0.61) MEN1KMT2AHSD17B10TSHRMAPT
SCHEMBL12440049 0.67 MAPT (0.61) MEN1KMT2AHSD17B10TSHRMAPT
SCHEMBL21469043 0.67 TGM2 (0.59) TGM2LPAR1LPAR2

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
US-20170174537-A1 SELECTIVELY PERMEABLE GRAPHENE OXIDE MEMBRANE NITTO DENKO CORPORATION (JP) 2017-06-22 US disclosed