SCHEMBL3392199

SCHEMBL3392199

FC(F)c1[c]cnn1-c1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.36
NPC1 O15118 5/20 0.36
RAB9A P51151 5/20 0.36
HIF1A Q16665 1/20 0.34
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MAPT P10636 3/20 0.32
SMN1; SMN2 Q16637 3/20 0.32
CYP2C9 P11712 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
ALDH1A1 P00352 5/20 0.32
HTT P42858 3/20 0.32
PAX8 Q06710 2/20 0.32
LMNA P02545 2/20 0.32
NPSR1 Q6W5P4 2/20 0.32
MITF O75030 1/20 0.32
S1PR4 O95977 1/20 0.32
THRB P10828 1/20 0.32
XBP1 P17861 1/20 0.32

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
SCHEMBL28417638 0.82 PTGS2 (0.35) POLBNPC1RAB9ATDP1MAPT
SCHEMBL1907972 0.81 NPC1 (0.40) POLBNPC1RAB9AHIF1ATDP1
SCHEMBL16927622 0.79 MAPK1 (0.31) SMN1; SMN2ALDH1A1
SCHEMBL16927655 0.76 HCAR1 (0.31)
SCHEMBL2902936 0.76 KCNN4 (0.35) SMN1; SMN2ALDH1A1LMNAMAPK14
SCHEMBL2897537 0.76 MGLL (0.33)
SCHEMBL1303649 0.76 RAB9A (0.38) POLBNPC1RAB9AMAPTSMN1; SMN2
SCHEMBL2902947 0.76 ALDH1A1 (0.37) HIF1ATDP1L3MBTL1MAPTSMN1; SMN2
SCHEMBL16927591 0.76 MAPT (0.42) POLBNPC1RAB9ATDP1MAPT
SCHEMBL2902856 0.74

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
EP-1370530-B1 ACYLATED 1,2,3,4-TETRAHYDRONAPHTHYL AMINES AND THEIR USE AS PHARMACEUTICAL SANOFI AVENTIS DEUTSCHLAND (DE) 2010-12-29 EP disclosed