SCHEMBL4285382

SCHEMBL4285382

CC(Oc1ccccc1)(C(=O)N1CCCCC1)C(F)(F)F

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.50
EPHX2 P34913 1/20 0.47
KMT2A Q03164 4/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
HPGD P15428 2/20 0.43
MEN1 O00255 2/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
ALDH1A1 P00352 2/20 0.42
LMNA P02545 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
MAPK1 P28482 1/20 0.41
MAPT P10636 1/20 0.40
HTT P42858 1/20 0.40

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
SCHEMBL23903305 0.82 ALDH1A1 (0.50) GAAEPHX2KMT2ASMN1; SMN2HPGD
SCHEMBL29516647 0.77 ALDH1A1 (0.51) GAAKMT2ASMN1; SMN2HPGDMEN1
SCHEMBL25442179 0.77 KMT2A (0.45) GAAEPHX2KMT2ASMN1; SMN2HPGD
SCHEMBL26059882 0.76 PDK1 (0.43) KMT2AMEN1ALDH1A1MAPT
SCHEMBL25442490 0.73 SMN1; SMN2 (0.42) GAAEPHX2KMT2ASMN1; SMN2HPGD
SCHEMBL22705629 0.72 LMNA (0.56) GAAKMT2ASMN1; SMN2HPGDMEN1
SCHEMBL4285371 0.71 CYP2B6 (0.41) GAAEPHX2KMT2ASMN1; SMN2HPGD
SCHEMBL4285375 0.71 HPGD (0.38) GAAEPHX2KMT2ASMN1; SMN2HPGD
SCHEMBL11656757 0.71 PDK1 (0.52) EPHX2KMT2ASMN1; SMN2HPGDMEN1
SCHEMBL30032441 0.70 MLYCD (0.48) KMT2AHPGDMEN1LMNAMAPK1

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-2069300-A2 MULTIMEDIATOR TRANSPORTER INHIBITORS FOR USE IN TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS PREXA PHARMACEUTICALS, INC. (US) 2009-06-17 EP disclosed
WO-2008024371-A2 MULTIMEDIATOR TRANSPORTER INHIBITORS FOR USE IN TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS PREXA PHARMACEUTICALS, INC. (US) 2008-02-28 WO disclosed