SCHEMBL2146346

SCHEMBL2146346

O=C(C1CCN(OC(=O)C(F)(F)F)C1)N1CCCCC1

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.49
ALDH1A1 P00352 5/20 0.43
SMN1; SMN2 Q16637 4/20 0.42
NOTUM Q6P988 1/20 0.41
TSHR P16473 1/20 0.41
KDM4E B2RXH2 2/20 0.39
KMT2A Q03164 1/20 0.37
LMNA P02545 2/20 0.36

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
SCHEMBL2146290 0.88 RECQL (0.40) HPGDALDH1A1SMN1; SMN2NOTUMTSHR
SCHEMBL23779158 0.78 GAA (0.37) ALDH1A1SMN1; SMN2KDM4ELMNA
SCHEMBL28310203 0.75 HPGD (0.63) HPGDALDH1A1SMN1; SMN2TSHRKMT2A
SCHEMBL980149 0.74 MLYCD (0.32) HPGDALDH1A1TSHRKMT2A
SCHEMBL28172922 0.74 ALDH1A1 (0.38) ALDH1A1KDM4EKMT2ALMNA
SCHEMBL26599493 0.74 NOTUM (0.41) ALDH1A1SMN1; SMN2NOTUM
SCHEMBL2146182 0.74 EPHX2 (0.45) ALDH1A1KMT2ALMNA
SCHEMBL28214294 0.73 DPP4 (0.34)
SCHEMBL1609526 0.73 EPHX2 (0.39) ALDH1A1KDM4EKMT2ALMNA
SCHEMBL2721518 0.72 MLYCD (0.33)

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