SCHEMBL4084033

SCHEMBL4084033

CCCOC(=O)c1cc2c(o1)c(NC(=O)c1ccsc1)nn2C(=O)OCC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 8/20 0.45
PLAU P00749 2/20 0.38
F2 P00734 1/20 0.38
CTRB1 P17538 1/20 0.38
CASP3 P42574 1/20 0.36
SENP8 Q96LD8 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
SENP6 Q9GZR1 1/20 0.36
ADORA2B P29275 1/20 0.34
GPR35 Q9HC97 1/20 0.34
ALDH1A1 P00352 2/20 0.34
MAOB P27338 1/20 0.34
MAPK1 P28482 1/20 0.34
LMNA P02545 1/20 0.34
TSHR P16473 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
GRM5 P41594 1/20 0.33
SLC26A6 Q9BXS9 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
NPC1 O15118 1/20 0.32

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
SCHEMBL4078418 0.88 HTT (0.43) ELANEALDH1A1MAOBLMNATSHR
SCHEMBL4088637 0.86 ALDH1A1 (0.43) ELANECASP3SENP8SENP7SENP6
SCHEMBL4091779 0.86 LMNA (0.44) ELANEGPR35ALDH1A1LMNAADORA3
SCHEMBL4083509 0.85 GPR35 (0.49) ELANEGPR35ALDH1A1LMNAL3MBTL1
SCHEMBL4083252 0.85 PTK2 (0.37) ELANEADORA2BGPR35ALDH1A1MAOB
SCHEMBL4078227 0.84 PAX8 (0.45) ELANEGPR35ALDH1A1LMNATSHR
SCHEMBL4078733 0.84 ALDH1A1 (0.44) ELANEGPR35ALDH1A1MAPK1LMNA
SCHEMBL4078553 0.84 KDM4E (0.44) ALDH1A1MAPK1LMNATSHRL3MBTL1
SCHEMBL4084041 0.84 RAB9A (0.45) CASP3SENP8SENP7SENP6ALDH1A1
SCHEMBL4083915 0.84 MAP3K5 (0.37) ELANEALDH1A1MAOBMAPK1L3MBTL1

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