SCHEMBL4084026

SCHEMBL4084026

CCCOC(=O)c1cc2c(o1)c(NC(=O)c1cc(C)oc1C)nn2C(=O)OCC

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.42
ALDH1A1 P00352 6/20 0.42
SMN1; SMN2 Q16637 5/20 0.42
LMNA P02545 3/20 0.41
RAB9A P51151 6/20 0.39
NPC1 O15118 5/20 0.39
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
KDM4E B2RXH2 2/20 0.39
MAPK1 P28482 1/20 0.39
HPGD P15428 4/20 0.39
RECQL P46063 2/20 0.39
HTT P42858 3/20 0.37
PKM P14618 2/20 0.36
HSD17B10 Q99714 1/20 0.36
TAS2R8 Q9NYW2 1/20 0.36
POLB P06746 1/20 0.35
GAA P10253 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
SCHEMBL4084062 0.88 ALDH1A1 (0.51) MAPTALDH1A1SMN1; SMN2RAB9ANPC1
SCHEMBL4083862 0.86 TAS1R3 (0.38) MAPTALDH1A1SMN1; SMN2RAB9ANPC1
SCHEMBL4088615 0.86 KMT2A (0.45) MAPTALDH1A1SMN1; SMN2LMNARAB9A
SCHEMBL4083791 0.85 LMNA (0.44) MAPTALDH1A1SMN1; SMN2LMNARAB9A
SCHEMBL4078418 0.85 HTT (0.43) MAPTALDH1A1SMN1; SMN2LMNARAB9A
SCHEMBL4084092 0.84 ALDH1A1 (0.49) MAPTALDH1A1SMN1; SMN2RAB9ANPC1
SCHEMBL4084041 0.84 RAB9A (0.45) MAPTALDH1A1SMN1; SMN2LMNARAB9A
SCHEMBL10072013 0.84 MAOB (0.36) ALDH1A1SMN1; SMN2LMNARAB9ANPC1
SCHEMBL4081200 0.83 MAPT (0.45) MAPTALDH1A1SMN1; SMN2LMNARAB9A
SCHEMBL4087183 0.83 RAB9A (0.45) MAPTALDH1A1SMN1; SMN2LMNARAB9A

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-2058315-A1 1H-Furo[3,2-C]Pyrazoles active as aurora kinase inhibitors Nerviano Medical Sciences S.r.l. (IT) 2009-05-13 EP claimed
EP-2058315-A1 1H-Furo[3,2-C]Pyrazoles active as aurora kinase inhibitors Nerviano Medical Sciences S.r.l. (IT) 2009-05-13 EP disclosed