SCHEMBL9033586

SCHEMBL9033586

NC(=O)Nc1ccc(O)c(Br)n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PEPD P12955 1/20 0.38
GRM5 P41594 2/20 0.37
KDM4E B2RXH2 3/20 0.36
ALDH1A1 P00352 3/20 0.36
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
HPGD P15428 1/20 0.36
HSD17B10 Q99714 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
GAA P10253 2/20 0.34
NR3C2 P08235 4/20 0.34
NPC1 O15118 3/20 0.33
RAB9A P51151 2/20 0.33
CYP3A4 P08684 1/20 0.33
MAPK1 P28482 1/20 0.33
KDM6B O15054 1/20 0.32
FTO Q9C0B1 1/20 0.32
EGLN1 Q9GZT9 1/20 0.32
HIF1AN Q9NWT6 1/20 0.32
KDM5B Q9UGL1 1/20 0.32

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
SCHEMBL10201113 0.75 PIK3CA (0.47) MAPK1
SCHEMBL5029586 0.72 GRM5 (0.51) GRM5KDM4EALDH1A1KMT2AMEN1
SCHEMBL9413728 0.71 MEN1 (0.55) GRM5KDM4EALDH1A1KMT2AMEN1
SCHEMBL13362749 0.71 PIM1 (0.50) KDM4EALDH1A1KMT2AHPGDHSD17B10
SCHEMBL10463825 0.69 NR3C2 (0.44) PEPDGRM5KDM4EALDH1A1KMT2A
SCHEMBL10263801 0.69 EP300 (0.41)
SCHEMBL10201100 0.68 HCAR3 (0.39) KDM4EKMT2AMEN1HSD17B10GAA
SCHEMBL8104147 0.68 RAB9A (0.58) ALDH1A1KMT2AMEN1NPC1RAB9A
SCHEMBL2360527 0.67 NPC1 (0.65) KMT2ANPC1RAB9AMAPK1
SCHEMBL7947652 0.67 HCAR3 (0.41) ALDH1A1KMT2AMEN1HSD17B10TDP1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0706514-A1 COMPOUNDS AND METHODS FOR INHIBITION OF HIV AND RELATED VIRUSES MEDIVIR AB (SE) 1996-04-17 EP disclosed
WO-1995006034-A1 COMPOUNDS AND METHODS FOR INHIBITION OF HIV AND RELATED VIRUSES MEDIVIR AB (SE) 1995-03-02 WO disclosed