SCHEMBL4078227

SCHEMBL4078227

CCCOC(=O)c1cc2c(o1)c(NC(=O)c1cccc(F)c1)nn2C(=O)OCC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PAX8 Q06710 1/20 0.45
SMN1; SMN2 Q16637 4/20 0.45
POLB P06746 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
ELANE P08246 2/20 0.42
KDM4E B2RXH2 3/20 0.41
CYP1A2 P05177 1/20 0.39
CYP2C19 P33261 1/20 0.39
MAPT P10636 3/20 0.39
ALDH1A1 P00352 2/20 0.39
LMNA P02545 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
GAA P10253 1/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
TP53 P04637 2/20 0.39
GPR35 Q9HC97 1/20 0.39
NPC1 O15118 2/20 0.38
THRB P10828 1/20 0.38

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
SCHEMBL4091779 0.90 LMNA (0.44) SMN1; SMN2ELANEKDM4EMAPTALDH1A1
SCHEMBL4078418 0.90 HTT (0.43) SMN1; SMN2ELANEKDM4EMAPTALDH1A1
SCHEMBL4088241 0.89 ELANE (0.48) SMN1; SMN2TDP1ELANEKDM4EMAPT
SCHEMBL4083791 0.85 LMNA (0.44) SMN1; SMN2POLBKDM4EMAPTALDH1A1
SCHEMBL4088637 0.85 ALDH1A1 (0.43) SMN1; SMN2ELANEKDM4EMAPTALDH1A1
SCHEMBL4083509 0.84 GPR35 (0.49) SMN1; SMN2POLBELANEKDM4ECYP1A2
SCHEMBL4084033 0.84 ELANE (0.45) ELANEALDH1A1LMNATSHRGPR35
SCHEMBL4083252 0.84 PTK2 (0.37) SMN1; SMN2TDP1ELANEKDM4EMAPT
SCHEMBL4088619 0.83 GPR35 (0.42) ELANEMAPTALDH1A1MEN1KMT2A
SCHEMBL4083134 0.83 GPR35 (0.42) SMN1; SMN2ELANEKDM4ECYP1A2CYP2C19

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