SCHEMBL2146182

SCHEMBL2146182

O=C(NC1CCCC1)[C@H]1CCN(OC(=O)C(F)(F)F)C1

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 10/20 0.45
ALDH1A1 P00352 3/20 0.44
MAPK1 P28482 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
LMNA P02545 1/20 0.43
GAA P10253 1/20 0.43
KMT2A Q03164 1/20 0.41

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
SCHEMBL1609526 0.94 EPHX2 (0.39) EPHX2ALDH1A1MAPK1L3MBTL1LMNA
SCHEMBL610387 0.93 ALDH1A1 (0.50) EPHX2ALDH1A1MAPK1L3MBTL1LMNA
SCHEMBL1437590 0.91 EPHX2 (0.49) EPHX2ALDH1A1MAPK1L3MBTL1LMNA
SCHEMBL2018904 0.90 ALDH1A1 (0.43) EPHX2ALDH1A1L3MBTL1GAAKMT2A
SCHEMBL26599493 0.81 NOTUM (0.41) ALDH1A1
SCHEMBL21640229 0.78 EPHX2 (0.33) EPHX2LMNA
SCHEMBL1609203 0.77 PIK3CD (0.39)
SCHEMBL23779158 0.75 GAA (0.37) ALDH1A1MAPK1LMNAGAA
SCHEMBL3328327 0.74 KDM4E (0.48) EPHX2ALDH1A1MAPK1L3MBTL1LMNA
SCHEMBL1437900 0.74 SMO (0.37) EPHX2ALDH1A1MAPK1L3MBTL1LMNA

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
WO-2011088045-A1 AURORA KINASE COMPOUNDS AND METHODS OF THEIR USE AMBIT BIOSCIENCES CORPORATION (US) 2011-07-21 WO disclosed