SCHEMBL21393225

SCHEMBL21393225

C=CC(=O)N1CCCCCC1c1cccnc1

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.54
CHRNB2 P17787 1/20 0.54
CHRNA7 P36544 1/20 0.54
CHRNA4 P43681 1/20 0.54
KMT2A Q03164 4/20 0.53
ALDH1A1 P00352 3/20 0.53
KDM4E B2RXH2 2/20 0.53
TDP1 Q9NUW8 2/20 0.53
MEN1 O00255 1/20 0.53
HPGD P15428 1/20 0.53
PRMT5 O14744 1/20 0.53
WDR77 Q9BQA1 1/20 0.53
MAPT P10636 2/20 0.52
GAA P10253 2/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
GPBAR1 Q8TDU6 1/20 0.49

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
SCHEMBL27603665 0.84 CHRNB2 (0.62) LMNACHRNB2CHRNA7CHRNA4KMT2A
SCHEMBL10838180 0.83 SRC (0.57) PRMT5WDR77
SCHEMBL13024504 0.82 CHRNB2 (0.63) LMNACHRNB2CHRNA7CHRNA4KMT2A
SCHEMBL1962198 0.82 CHRNB2 (0.59) LMNACHRNB2CHRNA7CHRNA4KMT2A
SCHEMBL31430919 0.82 CHRNB2 (0.59) LMNACHRNB2CHRNA7CHRNA4KMT2A
Oxalic Acid SCHEMBL1532842 0.81 ALDH1A1 (0.59) LMNACHRNB2CHRNA7CHRNA4KMT2A
SCHEMBL5300891 0.79 LMNA (0.67) LMNACHRNB2CHRNA7CHRNA4KMT2A
SCHEMBL18701778 0.79 RIPK1 (0.65) LMNACHRNB2CHRNA7CHRNA4KMT2A
SCHEMBL21078063 0.79 ALDH1A1 (0.64) LMNACHRNB2CHRNA7CHRNA4KMT2A
SCHEMBL38658031 0.78 ALDH1A1 (0.59) LMNACHRNB2CHRNA7CHRNA4KMT2A

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-20190293641-A1 ASSAY IMPERIAL COLLEGE INNOVATIONS, LTD. (GB) 2019-09-26 US disclosed