SCHEMBL14101203

SCHEMBL14101203

CN(Cc1ccc(OCCCBr)cc1)C(=O)OC(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.44
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
HRH3 Q9Y5N1 1/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
RAB9A P51151 2/20 0.41
BCHE P06276 4/20 0.40
ACHE P22303 4/20 0.40
PDK2 Q15119 1/20 0.40
NPC1 O15118 1/20 0.39

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
SCHEMBL24542515 0.85 GLS (0.42) SMN1; SMN2KDM4EALDH1A1KMT2ARAB9A
SCHEMBL1935742 0.82 AKT1 (0.43) SMN1; SMN2KDM4EALDH1A1RAB9ANPC1
SCHEMBL20131479 0.80 SMN1; SMN2 (0.59) SMN1; SMN2KDM4EALDH1A1MEN1KMT2A
SCHEMBL4798737 0.79 ALOX5 (0.58) SMN1; SMN2MEN1KMT2ARAB9ANPC1
SCHEMBL1684467 0.79 PYCR1 (0.42) SMN1; SMN2KDM4EALDH1A1RAB9ANPC1
SCHEMBL23448763 0.78 HRH3 (0.44) SMN1; SMN2KDM4EALDH1A1HRH3RAB9A
SCHEMBL3365028 0.77 L3MBTL1 (0.43) SMN1; SMN2
SCHEMBL1935308 0.77 PPARG (0.46) SMN1; SMN2KDM4EALDH1A1RAB9ANPC1
SCHEMBL25546128 0.77 HSP90AA1 (0.43) SMN1; SMN2KDM4EALDH1A1RAB9ANPC1
SCHEMBL2229917 0.77 MTOR (0.48) SMN1; SMN2KDM4EALDH1A1RAB9ANPC1

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-2008096093-A1 OXAZOLE AND THIAZOLE DERIVATIVES AND THEIR USES ARGENTA DISCOVERY LTD. (GB) 2008-08-14 WO disclosed