SCHEMBL4088241

SCHEMBL4088241

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 3/20 0.48
SMN1; SMN2 Q16637 7/20 0.45
L3MBTL1 Q9Y468 3/20 0.45
ALDH1A1 P00352 3/20 0.45
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
MAPT P10636 2/20 0.45
HPGD P15428 2/20 0.45
KDM4E B2RXH2 2/20 0.45
TSHR P16473 2/20 0.45
HSD17B10 Q99714 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
MAPK1 P28482 1/20 0.43
RAB9A P51151 6/20 0.42
NPC1 O15118 5/20 0.42
GAA P10253 2/20 0.42
LMNA P02545 2/20 0.42
NPSR1 Q6W5P4 1/20 0.42
CRHBP P24387 1/20 0.42
CRHR2 Q13324 1/20 0.42

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
SCHEMBL4083509 0.90 GPR35 (0.49) ELANESMN1; SMN2L3MBTL1ALDH1A1MEN1
SCHEMBL4078418 0.89 HTT (0.43) ELANESMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL4078227 0.89 PAX8 (0.45) ELANESMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL4088619 0.86 GPR35 (0.42) ELANEALDH1A1MEN1KMT2AMAPT
SCHEMBL4091779 0.84 LMNA (0.44) ELANESMN1; SMN2ALDH1A1KMT2AMAPT
SCHEMBL4088637 0.84 ALDH1A1 (0.43) ELANESMN1; SMN2ALDH1A1KMT2AMAPT
SCHEMBL4084092 0.83 ALDH1A1 (0.49) SMN1; SMN2ALDH1A1MAPTHPGDKDM4E
SCHEMBL4078733 0.83 ALDH1A1 (0.44) ELANESMN1; SMN2L3MBTL1ALDH1A1MAPT
SCHEMBL4084033 0.83 ELANE (0.45) ELANEL3MBTL1ALDH1A1TSHRMAPK1
SCHEMBL4083252 0.83 PTK2 (0.37) ELANESMN1; SMN2L3MBTL1ALDH1A1MEN1

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 1 patent. 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 disclosed