SCHEMBL4084062

SCHEMBL4084062

CCCOC(=O)c1cc2c(o1)c(NC(=O)c1ccoc1C)nn2C(=O)OCC

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.51
HPGD P15428 9/20 0.51
RAB9A P51151 6/20 0.51
SMN1; SMN2 Q16637 6/20 0.51
MEN1 O00255 5/20 0.51
KMT2A Q03164 5/20 0.51
NPC1 O15118 4/20 0.51
GAA P10253 2/20 0.51
TP53 P04637 2/20 0.45
TSHR P16473 2/20 0.45
NPSR1 Q6W5P4 2/20 0.45
MAPT P10636 2/20 0.45
HTT P42858 2/20 0.45
KDM4E B2RXH2 5/20 0.43
PKM P14618 5/20 0.41
POLB P06746 2/20 0.40
HSD17B10 Q99714 6/20 0.39
USP2 O75604 3/20 0.39
ALOX15 P16050 3/20 0.39
HSP90AA1 P07900 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
SCHEMBL4084026 0.88 MAPT (0.42) ALDH1A1HPGDRAB9ASMN1; SMN2MEN1
SCHEMBL4087183 0.86 RAB9A (0.45) ALDH1A1HPGDRAB9ASMN1; SMN2MEN1
SCHEMBL4083791 0.85 LMNA (0.44) ALDH1A1HPGDRAB9ASMN1; SMN2KMT2A
SCHEMBL4078418 0.84 HTT (0.43) ALDH1A1HPGDRAB9ASMN1; SMN2MEN1
SCHEMBL4083862 0.84 TAS1R3 (0.38) ALDH1A1HPGDRAB9ASMN1; SMN2MEN1
SCHEMBL4084092 0.84 ALDH1A1 (0.49) ALDH1A1HPGDRAB9ASMN1; SMN2NPC1
SCHEMBL4083252 0.84 PTK2 (0.37) ALDH1A1HPGDRAB9ASMN1; SMN2MEN1
SCHEMBL10072013 0.83 MAOB (0.36) ALDH1A1HPGDRAB9ASMN1; SMN2MEN1
SCHEMBL4091779 0.83 LMNA (0.44) ALDH1A1HPGDRAB9ASMN1; SMN2KMT2A
SCHEMBL4093521 0.83 SMN1; SMN2 (0.43) ALDH1A1HPGDRAB9ASMN1; SMN2MEN1

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