SCHEMBL8302350

SCHEMBL8302350

O=C(O)COc1ccnc(Br)c1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 2/20 0.50
PTPN7 P35236 2/20 0.50
LMNA P02545 2/20 0.49
TSHR P16473 1/20 0.46
HSD17B10 Q99714 1/20 0.46
MCL1 Q07820 1/20 0.46
ALDH1A1 P00352 2/20 0.43
MAPT P10636 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
PKM P14618 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
FFAR1 O14842 1/20 0.42
PTGDR2 Q9Y5Y4 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
PTPN12 Q05209 1/20 0.41
MAPK1 P28482 1/20 0.41
KDM4E B2RXH2 1/20 0.41
TDP1 Q9NUW8 1/20 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
SCHEMBL31638075 0.84 RAB9A (0.42) ALOX15LMNATSHRHSD17B10ALDH1A1
SCHEMBL14484808 0.79 MCL1 (0.54) ALOX15PTPN7LMNATSHRHSD17B10
SCHEMBL29159363 0.78 ALOX15 (0.46) ALOX15PTPN7LMNATSHRHSD17B10
SCHEMBL2921165 0.78 ALDH1A1 (0.40) LMNATSHRALDH1A1MAPTSMN1; SMN2
SCHEMBL15552719 0.77 MCL1 (0.53) ALOX15PTPN7LMNATSHRHSD17B10
SCHEMBL16847718 0.77 MAPT (0.50) LMNATSHRHSD17B10MAPTL3MBTL1
SCHEMBL17963039 0.76 LMNA (0.50) ALOX15PTPN7LMNATSHRHSD17B10
SCHEMBL7425169 0.75 ALOX15 (0.65) ALOX15PTPN7LMNATSHRALDH1A1
SCHEMBL25213572 0.75 PTPN7 (0.46) ALOX15PTPN7LMNATSHRHSD17B10
SCHEMBL8302306 0.74 ALDH1A1 (0.45) ALDH1A1L3MBTL1SMN1; SMN2KMT2A

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-2004096804-A1 DIAZABICYCLONONENE AND TETRAHYDROPYRIDINE DERIVATIVES AS RENIN INHIBITORS ACTELION PHARMACEUTICALS LTD (CH) 2004-11-11 WO disclosed