SCHEMBL16760862

SCHEMBL16760862

CO/N=C/C=N/Oc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA4 P22748 1/20 0.42
ALDH1A1 P00352 6/20 0.40
LMNA P02545 4/20 0.40
NPC1 O15118 3/20 0.40
HTT P42858 2/20 0.40
POLB P06746 1/20 0.40
LTA4H P09960 2/20 0.37
MAPT P10636 5/20 0.36
GAA P10253 1/20 0.36
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
PKM P14618 1/20 0.33
TRPA1 O75762 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
HPGD P15428 1/20 0.32
SRC P12931 2/20 0.31
RAB9A P51151 2/20 0.31
FAAH O00519 1/20 0.31
MEN1 O00255 1/20 0.31

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
SCHEMBL22129143 0.89 LTA4H (0.43) CA4ALDH1A1LMNALTA4HGAA
SCHEMBL28231064 0.80 LTA4H (0.36) CA4LTA4HTSHRL3MBTL1
SCHEMBL27016003 0.76 CA4 (0.44) CA4ALDH1A1LMNANPC1HTT
SCHEMBL4151574 0.75 CA4 (0.42) CA4ALDH1A1LMNANPC1HTT
SCHEMBL14667490 0.75 CA4 (0.42) CA4ALDH1A1LMNANPC1HTT
SCHEMBL25566852 0.72 LTA4H (0.33) CA4LTA4HTSHR
SCHEMBL9667351 0.72 NPC1 (0.42) CA4ALDH1A1LMNANPC1HTT
SCHEMBL10936114 0.71 TRPA1 (0.39) ALDH1A1LMNAMAPTGAATSHR
SCHEMBL22968581 0.71 LTA4H (0.34) CA4ALDH1A1LMNANPC1HTT
SCHEMBL22485139 0.70 LTA4H (0.39) CA4ALDH1A1LMNAHTTLTA4H

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
WO-2015082592-A2 METHOD FOR PREPARING AMINOARYLBORANE COMPOUNDS OR DERIVATIVES THEREOF Universite de Bordeaux (FR) 2015-06-11 WO disclosed
EP-2881398-A1 Method for preparing aminoarylborane compounds or derivatives thereof Université de Bordeaux I (FR) 2015-06-10 EP disclosed