SCHEMBL4537737

SCHEMBL4537737

O=C(NCC1CCN(C(=O)Nc2ccccc2C(F)(F)F)CC1)N[C]1CCCCCCC1.[CH2].[CH2]

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.60
MEN1 O00255 1/20 0.60
SCD O00767 1/20 0.51
RBP4 P02753 3/20 0.49
CYP2D6 P10635 2/20 0.49
CYP2C19 P33261 1/20 0.49
LMNA P02545 3/20 0.48
MAPK1 P28482 1/20 0.48
HTT P42858 1/20 0.48
CCR3 P51677 1/20 0.46
KDM4E B2RXH2 1/20 0.46
GAA P10253 1/20 0.46
BRD4 O60885 1/20 0.46
CYP1A2 P05177 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
MAPT P10636 1/20 0.45
POLB P06746 1/20 0.45
CNR1 P21554 1/20 0.44

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
SCHEMBL4531024 0.94 MEN1 (0.55) KMT2AMEN1SCDRBP4CYP2D6
SCHEMBL4535612 0.86 FAAH (0.58) KMT2AMEN1LMNAGAABRD4
SCHEMBL4541042 0.80 FAAH (0.53) KMT2AMEN1KDM4EGAABRD4
SCHEMBL4535122 0.79 KMT2A (0.60) KMT2AMEN1KDM4EBRD4SMN1; SMN2
SCHEMBL4537735 0.78 EPHX1 (0.63) KMT2AMEN1
SCHEMBL4543058 0.78 USP30 (0.55) KMT2AMEN1LMNAHTTKDM4E
SCHEMBL4537217 0.77 BRD4 (0.55) LMNAHTTKDM4EGAABRD4
SCHEMBL3914457 0.76 TLR2 (0.53) KMT2ALMNAMAPK1KDM4ESMN1; SMN2
SCHEMBL4541265 0.76 BRD4 (0.48) KMT2AMEN1LMNABRD4SMN1; SMN2
SCHEMBL4539572 0.75 KDM4E (0.53) KMT2AMEN1MAPK1HTTKDM4E

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-2009070497-A1 SEH AND 11 β-HSD1 INHIBITORS AND THEIR USE SMITHKLINE BEECHAM CORPORATION (US) 2009-06-04 WO claimed