SCHEMBL4081604

SCHEMBL4081604

CCCOC(=O)c1cc2c(o1)c(NC(=O)c1ccnn1C)nn2C(=O)OCC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.46
KDM4E B2RXH2 2/20 0.46
HPGD P15428 2/20 0.46
LMNA P02545 1/20 0.41
HSD17B10 Q99714 2/20 0.40
TSHR P16473 1/20 0.40
SMN1; SMN2 Q16637 4/20 0.39
KMT2A Q03164 2/20 0.38
GAA P10253 1/20 0.38
MEN1 O00255 1/20 0.38
TAS1R3 Q7RTX0 1/20 0.37
TAS1R1 Q7RTX1 1/20 0.37
TAS1R2 Q8TE23 1/20 0.37
HTT P42858 2/20 0.37
NPC1 O15118 4/20 0.36
RAB9A P51151 4/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36
NAMPT P43490 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
SCHEMBL4087974 0.88 TAS2R8 (0.35) ALDH1A1KDM4EHPGDSMN1; SMN2KMT2A
SCHEMBL4087253 0.86 CASP3 (0.38) ALDH1A1KDM4EHPGDHSD17B10SMN1; SMN2
SCHEMBL4078418 0.84 HTT (0.43) ALDH1A1KDM4EHPGDLMNATSHR
SCHEMBL4078532 0.84 RAB9A (0.39) ALDH1A1KDM4EHPGDLMNAHSD17B10
SCHEMBL4082223 0.84 KDM4E (0.37) ALDH1A1KDM4EHPGDLMNAHSD17B10
SCHEMBL4093454 0.84 JMJD6 (0.38) ALDH1A1KDM4EHPGDLMNAHSD17B10
SCHEMBL4083257 0.83 NAMPT (0.34) ALDH1A1KDM4EHPGDSMN1; SMN2NPC1
SCHEMBL4087183 0.83 RAB9A (0.45) ALDH1A1KDM4EHPGDLMNAHSD17B10
SCHEMBL4093521 0.83 SMN1; SMN2 (0.43) ALDH1A1KDM4EHPGDLMNAHSD17B10
SCHEMBL4091779 0.83 LMNA (0.44) ALDH1A1KDM4EHPGDLMNASMN1; SMN2

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