SCHEMBL20164019

SCHEMBL20164019

CNc1c(C(N)=O)c2ccccn2c1C(=O)c1ccc(F)cc1.NC(=O)c1c(N)c(C(=O)c2ccccc2)n2ccccc12

nearest known ligand 0.78

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ RXFP1 Q9HBX9 1/20 0.50
▸ MAPT P10636 2/20 0.48
▸ LMNA P02545 1/20 0.48
▸ MAPK1 P28482 1/20 0.48
▸ HTT P42858 1/20 0.48
▸ KDM4E B2RXH2 1/20 0.47
▸ MEN1 O00255 2/20 0.45
▸ KMT2A Q03164 2/20 0.45

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
SCHEMBL18227081 0.93 MAPT (0.53) MAPTLMNAMAPK1HTTKDM4E
SCHEMBL9937249 0.88 MAPT (0.53) RXFP1MAPTLMNAMAPK1HTT
SCHEMBL9937458 0.83 RXFP1 (0.62) RXFP1MAPTHTTMEN1KMT2A
SCHEMBL20347928 0.82 MAPT (0.44) RXFP1MAPTLMNAMAPK1HTT
SCHEMBL20164021 0.81 KDM4E (0.49) RXFP1MAPTLMNAMAPK1HTT
SCHEMBL15452568 0.77 RXFP1 (0.67) RXFP1MAPTHTTMEN1KMT2A
SCHEMBL28222179 0.73 KMT2A (0.51) RXFP1MAPTLMNAMAPK1HTT
SCHEMBL15452564 0.71 RXFP1 (0.73) RXFP1MAPTKDM4EMEN1KMT2A
SCHEMBL15172994 0.68 MEN1 (0.50) MAPTLMNAMAPK1HTTKDM4E
SCHEMBL28222167 0.67 HTT (0.52) RXFP1MAPTHTTMEN1KMT2A

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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