SCHEMBL22797018

SCHEMBL22797018

CC1CCN1C(=O)c1cccnc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.58
PIK3CD O00329 1/20 0.53
HPGD P15428 2/20 0.51
MAPK1 P28482 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
GAA P10253 3/20 0.51
RORC P51449 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
CHRNB2 P17787 1/20 0.49
CHRNB4 P30926 1/20 0.49
CHRNA3 P32297 1/20 0.49
CHRNA7 P36544 1/20 0.49
CHRNA4 P43681 1/20 0.49
LMNA P02545 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
STAT3 P40763 1/20 0.48
PKM P14618 1/20 0.48
SMO Q99835 1/20 0.47
NPC1 O15118 1/20 0.47
MAPT P10636 1/20 0.47

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
SCHEMBL22055729 0.91 GAA (0.59) ALDH1A1PIK3CDHPGDMAPK1GAA
SCHEMBL5909217 0.91 GAA (0.59) ALDH1A1PIK3CDHPGDMAPK1GAA
SCHEMBL26241740 0.83 PIK3CD (0.52) ALDH1A1PIK3CDHPGDMAPK1L3MBTL1
SCHEMBL18081171 0.83 PIK3CD (0.52) ALDH1A1PIK3CDHPGDMAPK1L3MBTL1
SCHEMBL18081188 0.82 PIK3CD (0.51) ALDH1A1PIK3CDHPGDMAPK1L3MBTL1
SCHEMBL1763339 0.82 CHRNB2 (0.53) ALDH1A1PIK3CDHPGDMAPK1GAA
SCHEMBL1763337 0.82 CHRNB2 (0.53) ALDH1A1PIK3CDHPGDMAPK1GAA
SCHEMBL26827492 0.81 HTT (0.53) ALDH1A1PIK3CDHPGDMAPK1L3MBTL1
SCHEMBL19454030 0.80 HPGD (0.64) HPGDMAPK1L3MBTL1GAALMNA
SCHEMBL20009023 0.80 PIK3CD (0.55) ALDH1A1PIK3CDHPGDMAPK1L3MBTL1

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-2020252151-A1 COT MODULATORS AND METHODS OF USE THEREOF GILEAD SCIENCES, INC. (US) 2020-12-17 WO disclosed