SCHEMBL22854366

SCHEMBL22854366

CC(CCl)NC(=O)c1ncc(F)cc1F

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 1/20 0.36
BACE1 P56817 5/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
HDAC4 P56524 1/20 0.35
IRAK4 Q9NWZ3 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
MAOA P21397 1/20 0.35
DYRK1A Q13627 1/20 0.35
ALOX5AP P20292 1/20 0.35
FEN1 P39748 1/20 0.35
FPR2 P25090 1/20 0.35
GRM4 Q14833 1/20 0.35
DPP4 P27487 1/20 0.34
DPP9 Q86TI2 1/20 0.34
BACE2 Q9Y5Z0 1/20 0.34

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
SCHEMBL22854304 0.88 ALOX5AP (0.43) EGLN1ALDH1A1HPGDHDAC4IRAK4
SCHEMBL22854250 0.86 HDAC4 (0.36) EGLN1ALDH1A1HPGDHDAC4MAOA
SCHEMBL1418614 0.75 BACE1 (0.40) BACE1BACE2
SCHEMBL107626 0.75 BACE1 (0.42) BACE1ALDH1A1GRM4DPP4DPP9
SCHEMBL22854302 0.74 ALOX5AP (0.39) EGLN1ALDH1A1HPGDHDAC4IRAK4
SCHEMBL22854405 0.74 ALOX5AP (0.39) EGLN1ALDH1A1HPGDHDAC4IRAK4
SCHEMBL12780298 0.72 DPP4 (0.40) BACE1NPC1RAB9ADPP4DPP9
SCHEMBL19480931 0.70 ALOX5AP (0.43) HDAC4ALOX5APFEN1
SCHEMBL23732706 0.70 SMN1; SMN2 (0.44) EGLN1ALDH1A1HPGDDYRK1AFPR2
SCHEMBL1395991 0.69 AGBL2 (0.41) BACE1DPP4DPP9BACE2

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-2020264081-A1 PROCESSES FOR PREPARING TOLL-LIKE RECEPTOR MODULATOR COMPOUNDS GILEAD SCIENCES, INC. (US) 2020-12-30 WO disclosed