SCHEMBL2659628

SCHEMBL2659628

Fc1cc(Br)ccc1-c1cnccn1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 7/20 0.52
FEN1 P39748 6/20 0.52
GAA P10253 1/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
PIEZO1 Q92508 1/20 0.39
PIM1 P11309 2/20 0.38
TERT O14746 3/20 0.36
CASP6 P55212 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
CTDSP1 Q9GZU7 1/20 0.35
PIM3 Q86V86 1/20 0.35
PIM2 Q9P1W9 1/20 0.35
WNT3A P56704 1/20 0.35

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
SCHEMBL2652043 0.86 ALOX5AP (0.42) ALOX5APFEN1GAANPC1RAB9A
SCHEMBL4028337 0.82 ALOX5AP (0.54) ALOX5APFEN1NPC1RAB9APIM1
SCHEMBL27795040 0.81 NPC1 (0.46) ALOX5APFEN1GAANPC1RAB9A
SCHEMBL21044403 0.79 FEN1 (0.57) ALOX5APFEN1NPC1RAB9APIM1
SCHEMBL5077785 0.77 ALOX5AP (0.47) ALOX5APFEN1NPC1RAB9AMEN1
SCHEMBL29674848 0.77 ALOX5AP (0.47) ALOX5APFEN1NPC1RAB9AMEN1
SCHEMBL15915495 0.75 FEN1 (0.86) ALOX5APFEN1
SCHEMBL31140243 0.74 ALOX5AP (0.55) ALOX5APFEN1NPC1RAB9APIM1
SCHEMBL16640380 0.74 ALOX5AP (0.55) ALOX5APFEN1NPC1RAB9APIM1
SCHEMBL27752919 0.73 ALOX5AP (0.44) ALOX5APFEN1GAANPC1RAB9A

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-1381606-A1 IMIDAZO-PYRIMIDINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME LTD. (GB) 2004-01-21 EP disclosed
WO-2002074773-A1 IMIDAZO-PYRIMIDINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME LIMITED (GB) 2002-09-26 WO disclosed