SCHEMBL4752985

SCHEMBL4752985

CC(C)(C)N(CCCn1cccn1)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.38
KMT2A Q03164 2/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ALDH1A1 P00352 4/20 0.35
THRB P10828 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
HTT P42858 1/20 0.34
MAPT P10636 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
KDM4E B2RXH2 1/20 0.34
MAPK1 P28482 1/20 0.34
FDPS P14324 1/20 0.33
KDM5A P29375 1/20 0.33
KDM2B Q8NHM5 1/20 0.33
KDM4C Q9H3R0 1/20 0.33
KDM5B Q9UGL1 1/20 0.33
POLB P06746 1/20 0.33
HCRTR1 O43613 1/20 0.33

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
SCHEMBL22366522 0.74 LMNA (0.39) LMNAKMT2ASMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL25969616 0.74 CPB2 (0.38) LMNAKMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL16293237 0.74 LMNA (0.37) LMNAKMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL671963 0.73 L3MBTL1 (0.39) LMNAKMT2ANPC1RAB9AALDH1A1
SCHEMBL1457114 0.72 BPTF (0.39) LMNAKMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL1457112 0.72 BPTF (0.39) LMNAKMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL3489062 0.71 TBXAS1 (0.42) LMNAKMT2ATHRBHTTFDPS
SCHEMBL21879649 0.70 ALDH1A1 (0.50) LMNAKMT2ASMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL10830752 0.69 CA12 (0.40) KMT2AALDH1A1MAPK1MEN1
SCHEMBL5521617 0.69 TBXAS1 (0.49) LMNATHRBHTTFDPS

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-1987037-A2 FUSED HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2008-11-05 EP disclosed
WO-2007097470-A2 FUSED NITROGEN- COMPRISING HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-08-30 WO disclosed