SCHEMBL3412865

SCHEMBL3412865

BrC1=CC(N2CCOCC2)=CC[CH]1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.34
HTT P42858 6/20 0.33
MAPT P10636 5/20 0.33
KMT2A Q03164 3/20 0.33
ALDH1A1 P00352 5/20 0.33
KDM4E B2RXH2 2/20 0.33
ALOX15 P16050 2/20 0.33
HSD17B10 Q99714 2/20 0.33
HPGD P15428 1/20 0.33
TP53 P04637 2/20 0.32
STAT3 P40763 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
MEN1 O00255 2/20 0.32
NPC1 O15118 1/20 0.32
CYP1A2 P05177 1/20 0.32
RAB9A P51151 1/20 0.32
MAPK1 P28482 3/20 0.31
GLA P06280 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
USP2 O75604 1/20 0.31

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
SCHEMBL6988034 0.81
SCHEMBL5069635 0.78 LMNA (0.34) LMNAHTTMAPTKMT2AALDH1A1
SCHEMBL2946349 0.74 CYP2C19 (0.36) LMNAHTTMAPTKMT2AALDH1A1
SCHEMBL1906001 0.74 LMNA (0.36) LMNAHTTMAPTKMT2AALDH1A1
SCHEMBL16079591 0.70 LMNA (0.34) LMNAHTTMAPTKMT2AALDH1A1
SCHEMBL3643004 0.66 EHMT2 (0.42) POLB
SCHEMBL1993537 0.65 LMNA (0.36) LMNAHTTMAPTKMT2AALDH1A1
SCHEMBL3034338 0.64 TSHR (0.37) ALDH1A1KDM4ESMN1; SMN2CYP1A2MAPK1
SCHEMBL21088137 0.63 GAA (0.35) LMNAHTTMAPTKMT2AALDH1A1
SCHEMBL16079593 0.63 LMNA (0.34) LMNAHTTMAPTKMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2991983-A1 2-PHENYL OR 2-HETARYL IMIDAZOL[1,2-a]PYRIDINE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2016-03-09 EP disclosed
WO-2014177458-A1 2-PHENYL OR 2-HETARYL IMIDAZOL[1,2-a]PYRIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2014-11-06 WO disclosed
EP-2265606-A1 HEPATITIS C VIRUS INHIBITORS Bristol-Myers Squibb Company (US) 2010-12-29 EP disclosed
WO-2009129109-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2009-10-22 WO disclosed