SCHEMBL3395600

SCHEMBL3395600

CN(c1cc(-c2ccccn2)[nH]n1)c1nncc(-c2ccc(C#N)cc2Cl)n1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.35
METAP2 P50579 1/20 0.35
METAP1 P53582 1/20 0.35
GRM5 P41594 6/20 0.35
KCNH2 Q12809 1/20 0.35
FFAR1 O14842 2/20 0.34
TGFBR1 P36897 1/20 0.34
CYP11B2 P19099 1/20 0.33
KDM4E B2RXH2 1/20 0.32
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HSD17B10 Q99714 1/20 0.32
TSHR P16473 1/20 0.32
ALDH1A1 P00352 1/20 0.32
TP53 P04637 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32

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
SCHEMBL3393341 0.81 KCNH2 (0.43) METAP2METAP1GRM5KCNH2FFAR1
SCHEMBL3392275 0.80 KCNH2 (0.46) METAP2METAP1GRM5KCNH2FFAR1
SCHEMBL3395596 0.79 KCNH2 (0.40) L3MBTL1METAP2METAP1GRM5KCNH2
SCHEMBL3393481 0.73 MAPT (0.38) L3MBTL1CYP11B2KDM4EHSD17B10TSHR
SCHEMBL3392062 0.72 KCNH2 (0.54) METAP2METAP1GRM5KCNH2FFAR1
SCHEMBL3397454 0.72 OXTR (0.31)
SCHEMBL3393142 0.67 CYP19A1 (0.41) KCNH2CYP11B2HSD17B10ALDH1A1
SCHEMBL13425594 0.66 KCNH2 (0.38) METAP2METAP1KCNH2FFAR1TGFBR1
SCHEMBL3393337 0.66 KCNH2 (0.58) GRM5KCNH2TGFBR1HSD17B10ALDH1A1
SCHEMBL3397575 0.66 KCNH2 (0.43) KCNH2TGFBR1CYP11B2

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-2010046780-A2 ANTI VIRAL COMPOUNDS INSTITUT PASTEUR KOREA (KR) 2010-04-29 WO disclosed