SCHEMBL2651522

SCHEMBL2651522

CCCCOC(=O)Nc1nc(Cl)ncc1F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.46
RAB9A P51151 7/20 0.44
NPC1 O15118 6/20 0.44
SMN1; SMN2 Q16637 6/20 0.44
HPGD P15428 3/20 0.44
CYP1A2 P05177 2/20 0.44
CYP2C19 P33261 2/20 0.44
CYP2C9 P11712 1/20 0.44
LMNA P02545 2/20 0.44
ALDH1A1 P00352 4/20 0.43
TSHR P16473 3/20 0.43
NPSR1 Q6W5P4 1/20 0.43
MAPKAPK2 P49137 1/20 0.43
NFKB1 P19838 2/20 0.42
ATF1 P18846 1/20 0.42
STAT1 P42224 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
FGFR3 P22607 1/20 0.42
MAPK1 P28482 2/20 0.41

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
SCHEMBL31521405 0.88 L3MBTL1 (0.41) L3MBTL1RAB9ANPC1SMN1; SMN2HPGD
SCHEMBL23050297 0.82 L3MBTL1 (0.39) L3MBTL1RAB9ANPC1SMN1; SMN2HPGD
SCHEMBL23050262 0.82 L3MBTL1 (0.39) L3MBTL1RAB9ANPC1SMN1; SMN2HPGD
SCHEMBL13383758 0.82 LMNA (0.48) L3MBTL1RAB9ANPC1SMN1; SMN2CYP1A2
SCHEMBL14049462 0.80 LMNA (0.47) L3MBTL1RAB9ANPC1SMN1; SMN2CYP1A2
SCHEMBL13321131 0.78 LMNA (0.48) L3MBTL1RAB9ANPC1SMN1; SMN2CYP1A2
SCHEMBL7064550 0.76 LMNA (0.47) L3MBTL1RAB9ANPC1SMN1; SMN2HPGD
SCHEMBL2658161 0.74 L3MBTL1 (0.41) L3MBTL1RAB9ANPC1SMN1; SMN2HPGD
SCHEMBL19215234 0.74 ATF1 (0.40) L3MBTL1SMN1; SMN2ALDH1A1NFKB1ATF1
SCHEMBL13530701 0.74 LMNA (0.42) L3MBTL1RAB9ANPC1SMN1; SMN2HPGD

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-2004065388-A1 FLUOROIMIDAZOPYRIMIDINES AS GABA-A ALPHA 2/3 LIGANDS FOR DEPRESSION/ANXIETY MERCK SHARP & DOHME LIMITED (GB) 2004-08-05 WO disclosed