SCHEMBL4078418

SCHEMBL4078418

CCCOC(=O)c1cc2c(o1)c(NC(=O)c1ccccc1)nn2C(=O)OCC

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.43
ELANE P08246 3/20 0.42
ALDH1A1 P00352 7/20 0.42
SMN1; SMN2 Q16637 5/20 0.42
KDM4E B2RXH2 2/20 0.42
LMNA P02545 1/20 0.41
NPC1 O15118 4/20 0.41
RAB9A P51151 3/20 0.41
HPGD P15428 3/20 0.41
MAPT P10636 1/20 0.41
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
GAA P10253 1/20 0.40
DHODH Q02127 1/20 0.40
MAOB P27338 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
TSHR P16473 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
SCHEMBL4088619 0.93 GPR35 (0.42) HTTELANEALDH1A1NPC1RAB9A
SCHEMBL4091779 0.91 LMNA (0.44) ELANEALDH1A1SMN1; SMN2KDM4ELMNA
SCHEMBL4088637 0.91 ALDH1A1 (0.43) ELANEALDH1A1SMN1; SMN2KDM4ELMNA
SCHEMBL4078227 0.90 PAX8 (0.45) ELANEALDH1A1SMN1; SMN2KDM4ELMNA
SCHEMBL4083509 0.90 GPR35 (0.49) ELANEALDH1A1SMN1; SMN2KDM4ELMNA
SCHEMBL4088241 0.89 ELANE (0.48) ELANEALDH1A1SMN1; SMN2KDM4ELMNA
SCHEMBL4078733 0.88 ALDH1A1 (0.44) ELANEALDH1A1SMN1; SMN2KDM4ELMNA
SCHEMBL4084033 0.88 ELANE (0.45) ELANEALDH1A1LMNANPC1MAOB
SCHEMBL4078532 0.88 RAB9A (0.39) HTTALDH1A1SMN1; SMN2KDM4ELMNA
SCHEMBL4083252 0.88 PTK2 (0.37) ELANEALDH1A1SMN1; SMN2KDM4ELMNA

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