SCHEMBL20164021

SCHEMBL20164021

Cc1c(C(N)=O)c2cccc(N)n2c1C(=O)c1ccc(F)cc1.NC(=O)c1c(N)c(C(=O)c2ccccc2)n2ccccc12

nearest known ligand 0.73

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.49
▸ LMNA P02545 2/20 0.48
▸ MAPT P10636 2/20 0.48
▸ MAPK1 P28482 1/20 0.48
▸ HTT P42858 1/20 0.48
▸ MEN1 O00255 2/20 0.48
▸ KMT2A Q03164 2/20 0.48
▸ RXFP1 Q9HBX9 1/20 0.46
▸ ALDH1A1 P00352 2/20 0.43
▸ HPGD P15428 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL18227082 0.87 MAPT (0.43) KDM4ELMNAMAPTMAPK1HTT
SCHEMBL9937249 0.85 MAPT (0.53) KDM4ELMNAMAPTMAPK1HTT
SCHEMBL20164019 0.81 RXFP1 (0.50) KDM4ELMNAMAPTMAPK1HTT
SCHEMBL9937458 0.81 RXFP1 (0.62) MAPTHTTMEN1KMT2ARXFP1
SCHEMBL15452568 0.75 RXFP1 (0.67) MAPTHTTMEN1KMT2ARXFP1
SCHEMBL18227081 0.73 MAPT (0.53) KDM4ELMNAMAPTMAPK1HTT
SCHEMBL29882847 0.71 MEN1 (0.45) KDM4ELMNAMAPTMAPK1HTT
SCHEMBL142911 0.68 HTT (0.59) KDM4ELMNAMAPTMAPK1HTT
SCHEMBL15452564 0.67 RXFP1 (0.73) KDM4EMAPTMEN1KMT2ARXFP1
SCHEMBL28222179 0.66 KMT2A (0.51) KDM4ELMNAMAPTMAPK1HTT

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-20180140585-A1 BIOMOLECULES INVOLVED IN ALZHEIMER'S DISEASE ELECTROPHORETICS LIMITED (GB) 2018-05-24 — — US disclosed
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