SCHEMBL4091779

SCHEMBL4091779

CCCOC(=O)c1cc2c(o1)c(NC(=O)c1ccc(F)cc1)nn2C(=O)OCC

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.44
NPSR1 Q6W5P4 1/20 0.44
GPR35 Q9HC97 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.41
MAPT P10636 2/20 0.40
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
ADORA2A P29274 3/20 0.40
ADORA3 P0DMS8 2/20 0.40
ADORA1 P30542 2/20 0.40
RAB9A P51151 1/20 0.39
ADCY1 Q08828 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
ELANE P08246 1/20 0.38
HTR7 P34969 1/20 0.38
P2RY14 Q15391 1/20 0.38
KMT2A Q03164 1/20 0.37

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
SCHEMBL3888747 0.93 LMNA (0.43) LMNANPSR1GPR35SMN1; SMN2MAPT
SCHEMBL4088637 0.91 ALDH1A1 (0.43) LMNANPSR1GPR35SMN1; SMN2MAPT
SCHEMBL4078418 0.91 HTT (0.43) LMNASMN1; SMN2MAPTKDM4EALDH1A1
SCHEMBL4078227 0.90 PAX8 (0.45) LMNAGPR35SMN1; SMN2MAPTKDM4E
SCHEMBL4083509 0.90 GPR35 (0.49) LMNANPSR1GPR35SMN1; SMN2MAPT
SCHEMBL4083134 0.89 GPR35 (0.42) GPR35SMN1; SMN2MAPTKDM4EALDH1A1
SCHEMBL4078733 0.88 ALDH1A1 (0.44) LMNAGPR35SMN1; SMN2MAPTKDM4E
SCHEMBL4088619 0.88 GPR35 (0.42) GPR35MAPTALDH1A1HPGDRAB9A
SCHEMBL4083252 0.86 PTK2 (0.37) LMNAGPR35SMN1; SMN2MAPTKDM4E
SCHEMBL4084033 0.86 ELANE (0.45) LMNAGPR35ALDH1A1ADORA3ELANE

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