SCHEMBL17950592

SCHEMBL17950592

O=c1[nH]nnc2ccc(C3CCCC3)cc12

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PRMT5 O14744 2/20 0.53
▸ WDR77 Q9BQA1 2/20 0.53
▸ EPHX2 P34913 2/20 0.42
▸ BACE1 P56817 1/20 0.40
▸ NOTUM Q6P988 1/20 0.38
▸ HSP90AA1 P07900 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ IKBKE Q14164 1/20 0.36
▸ TBK1 Q9UHD2 1/20 0.36
▸ HDAC4 P56524 1/20 0.36
▸ HDAC2 Q92769 1/20 0.36
▸ HDAC8 Q9BY41 1/20 0.36
▸ HTR1D P28221 2/20 0.36
▸ ACMSD Q8TDX5 2/20 0.36
▸ EGLN1 Q9GZT9 2/20 0.35
▸ TRIM58 Q8NG06 1/20 0.35

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
SCHEMBL10948259 0.73 BACE1 (0.43) PRMT5WDR77EPHX2BACE1NOTUM
SCHEMBL12326069 0.72 PRMT5 (0.52) PRMT5WDR77EPHX2BACE1NOTUM
SCHEMBL17950468 0.71 PRMT5 (0.39) PRMT5WDR77BACE1GAAHDAC4
SCHEMBL1841772 0.70 PARP1 (0.54) MAPT
SCHEMBL874689 0.70 PARP1 (0.54) MAPT
SCHEMBL874078 0.70 PARP1 (0.54) MAPTTDP1
SCHEMBL3262503 0.70 PIM1 (0.54) PRMT5WDR77GAAMAPTKMT2A
SCHEMBL38660888 0.70 GPR3 (0.47) PRMT5WDR77BACE1KMT2ATDP1
SCHEMBL23087410 0.70 PRMT5 (1.00) PRMT5WDR77
SCHEMBL11120063 0.69 IP6K1 (0.59) —

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-2016116058-A1 TRIAZINE HETEROCYCLIC COMPOUND WITH NEMATICIDAL ACTIVITY AND PREPARATION METHOD THEREFOR AND USAGE THEREOF 华东理工大学 2016-07-28 — — WO disclosed
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