SCHEMBL5547738

SCHEMBL5547738

O=C(CC1CCCCC1)Nc1[c]ccc(C(F)(F)F)c1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CSNK1D P48730 1/20 0.56
NAMPT P43490 1/20 0.49
EPHX2 P34913 3/20 0.48
NPC1 O15118 5/20 0.45
TDP1 Q9NUW8 1/20 0.45
RAB9A P51151 4/20 0.45
KMT2A Q03164 3/20 0.45
AAK1 Q2M2I8 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
MEN1 O00255 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
HPGD P15428 1/20 0.43
CYP2C19 P33261 1/20 0.43
ALPL P05186 1/20 0.43
POLB P06746 1/20 0.43
TSHR P16473 1/20 0.43
KDM4E B2RXH2 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
SCHEMBL5548725 0.99 CSNK1D (0.54) CSNK1DNAMPTEPHX2NPC1TDP1
SCHEMBL5547801 0.82 MEN1 (0.53) EPHX2KMT2AMEN1HPGDTSHR
SCHEMBL5547776 0.80 RXFP1 (0.45) CSNK1DEPHX2KMT2AMEN1
SCHEMBL5551875 0.77 MEN1 (0.50) KMT2AMEN1TSHRKDM4E
SCHEMBL5551417 0.77 TDP1 (0.52) TDP1KMT2AMEN1POLB
SCHEMBL13568424 0.75 EPHX2 (0.59) CSNK1DNAMPTEPHX2NPC1TDP1
SCHEMBL5551918 0.75 TP53 (0.40) CSNK1DKMT2ASMN1; SMN2MEN1CYP2D6
SCHEMBL16254222 0.74 USP30 (0.64) CSNK1DNAMPTEPHX2NPC1RAB9A
SCHEMBL5782488 0.73 DYRK1A (0.47) KMT2ASMN1; SMN2MEN1CYP1A2CYP3A4
SCHEMBL11973806 0.73 MEN1 (0.42) EPHX2RAB9AKMT2AMEN1CYP1A2

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-1780211-A2 Vanilloid receptor ligands and their use in treatments Amgen Inc. (US) 2007-05-02 EP disclosed
EP-1775295-A1 Vanilloid receptor ligands and their use in treatments Amgen Inc. (US) 2007-04-18 EP disclosed