SCHEMBL2146010

SCHEMBL2146010

CC(C)(C)OC(=O)N1CC[C@@H](S(=O)(=O)C(C)(C)C)C1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.47
MAPT P10636 2/20 0.46
MEN1 O00255 1/20 0.46
ALDH1A1 P00352 1/20 0.46
KMT2A Q03164 1/20 0.46
RECQL P46063 1/20 0.44
EPHX1 P07099 1/20 0.44
KDM4E B2RXH2 1/20 0.44
THRB P10828 1/20 0.44
GPR119 Q8TDV5 4/20 0.43
USP2 O75604 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
STS P08842 3/20 0.41
NR1H2 P55055 1/20 0.41
PTPN2 P17706 1/20 0.41
PTPN1 P18031 1/20 0.41
PTPN6 P29350 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
SCHEMBL2146006 1.00 HPGD (0.47) HPGDMAPTMEN1ALDH1A1KMT2A
SCHEMBL29014961 0.89 RECQL (0.49) HPGDMAPTMEN1ALDH1A1KMT2A
SCHEMBL22468372 0.88 HPGD (0.44) HPGDMAPTMEN1ALDH1A1KMT2A
SCHEMBL28580478 0.88 HPGD (0.44) HPGDMAPTMEN1ALDH1A1KMT2A
SCHEMBL56449 0.85 HPGD (0.51) HPGDMAPTMEN1ALDH1A1KMT2A
SCHEMBL55991 0.84 HPGD (0.47) HPGDMAPTMEN1ALDH1A1KMT2A
SCHEMBL31320024 0.84 RECQL (0.48) HPGDMAPTMEN1ALDH1A1KMT2A
SCHEMBL29718457 0.84 HPGD (0.47) HPGDMAPTMEN1ALDH1A1KMT2A
SCHEMBL57472 0.84 HPGD (0.47) HPGDMAPTMEN1ALDH1A1KMT2A
SCHEMBL16362675 0.83 HPGD (0.46) HPGDMAPTMEN1ALDH1A1KMT2A

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