SCHEMBL4084041

SCHEMBL4084041

CCCOC(=O)c1cc2c(o1)c(NC(=O)c1sccc1C)nn2C(=O)OCC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 9/20 0.45
NPC1 O15118 8/20 0.45
HPGD P15428 4/20 0.45
PKM P14618 4/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
NFKB1 P19838 2/20 0.45
NFKB2 Q00653 2/20 0.45
RELA Q04206 2/20 0.45
MAPT P10636 2/20 0.45
ALDH1A1 P00352 1/20 0.45
STAT1 P42224 1/20 0.45
CASP3 P42574 1/20 0.37
SENP8 Q96LD8 1/20 0.37
SENP7 Q9BQF6 1/20 0.37
SENP6 Q9GZR1 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
PPARG P37231 1/20 0.36
NCOR2 Q9Y618 1/20 0.36

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
SCHEMBL4078553 0.85 KDM4E (0.44) RAB9ANPC1HPGDSMN1; SMN2MEN1
SCHEMBL4078418 0.84 HTT (0.43) RAB9ANPC1HPGDSMN1; SMN2MEN1
SCHEMBL4083862 0.84 TAS1R3 (0.38) RAB9ANPC1HPGDSMN1; SMN2MEN1
SCHEMBL4084026 0.84 MAPT (0.42) RAB9ANPC1HPGDPKMSMN1; SMN2
SCHEMBL4083509 0.84 GPR35 (0.49) RAB9ANPC1HPGDSMN1; SMN2MEN1
SCHEMBL4084033 0.84 ELANE (0.45) NPC1ALDH1A1CASP3SENP8SENP7
SCHEMBL4091779 0.83 LMNA (0.44) RAB9AHPGDSMN1; SMN2KMT2AMAPT
SCHEMBL4093521 0.83 SMN1; SMN2 (0.43) RAB9ANPC1HPGDSMN1; SMN2MEN1
SCHEMBL4087183 0.83 RAB9A (0.45) RAB9ANPC1HPGDSMN1; SMN2MEN1
SCHEMBL4088637 0.83 ALDH1A1 (0.43) RAB9ANPC1HPGDSMN1; 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 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