SCHEMBL4531024

SCHEMBL4531024

O=C(NCC1CCN(C(=O)Nc2ccccc2C(F)(F)F)C1)N[C]1CCCCCCC1.[CH2].[CH2]

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
RBP4 P02753 3/20 0.46
CYP2D6 P10635 2/20 0.46
CYP2C19 P33261 1/20 0.46
SCD O00767 1/20 0.45
CCR3 P51677 1/20 0.45
LMNA P02545 3/20 0.44
MAPK1 P28482 1/20 0.44
HTT P42858 1/20 0.44
CYP1A2 P05177 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
GRIN2B Q13224 1/20 0.44
TRPV1 Q8NER1 1/20 0.43
POLB P06746 1/20 0.43
MAPT P10636 1/20 0.43
KDM4E B2RXH2 1/20 0.42
GAA P10253 1/20 0.42

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
SCHEMBL4537737 0.94 KMT2A (0.60) MEN1KMT2ARBP4CYP2D6CYP2C19
SCHEMBL4541042 0.86 FAAH (0.53) MEN1KMT2ASMN1; SMN2MAPTKDM4E
SCHEMBL4537217 0.84 BRD4 (0.55) LMNAHTTSMN1; SMN2MAPTKDM4E
SCHEMBL4539333 0.81 KMT2A (0.56) MEN1KMT2ALMNASMN1; SMN2GRIN2B
SCHEMBL4535612 0.80 FAAH (0.58) MEN1KMT2ALMNASMN1; SMN2MAPT
SCHEMBL4531019 0.79 EPHX1 (0.58) MEN1KMT2AGRIN2B
SCHEMBL4542474 0.79 USP30 (0.58) MEN1KMT2ALMNAHTTSMN1; SMN2
SCHEMBL4542442 0.77 BRD4 (0.44) KMT2ALMNAMAPK1SMN1; SMN2POLB
SCHEMBL4537103 0.76 KDM4E (0.54) MEN1KMT2ACYP2C19LMNAHTT
SCHEMBL4535122 0.76 KMT2A (0.60) MEN1KMT2ASMN1; SMN2GRIN2BKDM4E

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 disclosed