SCHEMBL3459780

SCHEMBL3459780

O=C(NC1CCCCC1)c1c(Cl)cccc1CF

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.54
KMT2A Q03164 2/20 0.54
MEN1 O00255 1/20 0.54
NPC1 O15118 5/20 0.52
MAPK14 Q16539 1/20 0.51
TAS1R3 Q7RTX0 1/20 0.49
TAS1R1 Q7RTX1 1/20 0.49
TAS1R2 Q8TE23 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.48
POLB P06746 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
P2RX7 Q99572 1/20 0.47
HPGD P15428 1/20 0.46
TSHR P16473 3/20 0.46
ALDH1A1 P00352 1/20 0.46
ALOX15 P16050 1/20 0.46
TDP1 Q9NUW8 1/20 0.45

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
SCHEMBL18855210 0.79 TAS1R3 (0.48) RAB9AKMT2AMEN1NPC1MAPK14
SCHEMBL9017627 0.77 MAPK14 (0.55) RAB9AKMT2AMEN1NPC1MAPK14
SCHEMBL7856701 0.76 KMT2A (0.56) RAB9AKMT2AMEN1NPC1MAPK14
SCHEMBL16664390 0.75 DOT1L (0.46) RAB9AKMT2AMEN1NPC1HPGD
SCHEMBL8210765 0.72 RAB9A (0.72) RAB9AKMT2AMEN1NPC1SMN1; SMN2
SCHEMBL3455501 0.72 RAB9A (0.72) RAB9AKMT2AMEN1NPC1SMN1; SMN2
SCHEMBL7187483 0.71 ALDH1A1 (0.68) RAB9AKMT2AMEN1NPC1TAS1R3
SCHEMBL7845992 0.71 MAPK14 (0.52) RAB9AKMT2AMEN1NPC1MAPK14
SCHEMBL5021982 0.71 ALDH1A1 (0.63) RAB9AKMT2AMEN1NPC1P2RX7
SCHEMBL9884064 0.71 P2RX7 (0.58) RAB9AKMT2AMEN1NPC1MAPK14

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-2239012-A2 Pharmaceutical use of substituted amides High Point Pharmaceuticals, LLC (US) 2010-10-13 EP disclosed