SCHEMBL4083791

SCHEMBL4083791

CCCOC(=O)c1cc2c(o1)c(NC(=O)c1ccccc1F)nn2C(=O)OCC

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.44
ALDH1A1 P00352 5/20 0.42
KDM4E B2RXH2 4/20 0.42
SMN1; SMN2 Q16637 4/20 0.42
MAPT P10636 4/20 0.42
TP53 P04637 3/20 0.42
HPGD P15428 2/20 0.42
USP2 O75604 1/20 0.42
PTBP1 P26599 1/20 0.42
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
KMT2A Q03164 2/20 0.39
PKM P14618 1/20 0.39
GLA P06280 1/20 0.38
GAA P10253 2/20 0.38
POLB P06746 1/20 0.38
MAOB P27338 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
F2R P25116 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
SCHEMBL4084092 0.89 ALDH1A1 (0.49) ALDH1A1KDM4ESMN1; SMN2MAPTTP53
SCHEMBL10072013 0.88 MAOB (0.36) LMNAALDH1A1KDM4ESMN1; SMN2TP53
SCHEMBL4078418 0.87 HTT (0.43) LMNAALDH1A1KDM4ESMN1; SMN2MAPT
SCHEMBL4091779 0.85 LMNA (0.44) LMNAALDH1A1KDM4ESMN1; SMN2MAPT
SCHEMBL4084026 0.85 MAPT (0.42) LMNAALDH1A1KDM4ESMN1; SMN2MAPT
SCHEMBL4078227 0.85 PAX8 (0.45) LMNAALDH1A1KDM4ESMN1; SMN2MAPT
SCHEMBL4078532 0.85 RAB9A (0.39) LMNAALDH1A1KDM4ESMN1; SMN2MAPT
SCHEMBL4084062 0.85 ALDH1A1 (0.51) ALDH1A1KDM4ESMN1; SMN2MAPTTP53
SCHEMBL4087183 0.84 RAB9A (0.45) LMNAALDH1A1KDM4ESMN1; SMN2MAPT
SCHEMBL4093454 0.83 JMJD6 (0.38) LMNAALDH1A1KDM4ESMN1; SMN2MAPT

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