SCHEMBL4143643

SCHEMBL4143643

COc1ccc(C(=O)NCc2c(Cl)cccc2Cl)cc1

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.60
KMT2A Q03164 4/20 0.60
ALDH1A1 P00352 2/20 0.60
MAPT P10636 1/20 0.60
NPC1 O15118 4/20 0.58
RAB9A P51151 4/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
MEN1 O00255 2/20 0.57
EPHX2 P34913 2/20 0.56
NR1H4 Q96RI1 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
GAA P10253 1/20 0.56
CA1 P00915 1/20 0.54
CA2 P00918 1/20 0.54
PKM P14618 1/20 0.54
TRPV1 Q8NER1 1/20 0.53
MMP13 P45452 1/20 0.52

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
SCHEMBL5648574 0.80 LMNA (0.75) LMNAKMT2AALDH1A1MAPTNPC1
SCHEMBL5644846 0.80 LMNA (0.57) LMNAMAPTSMN1; SMN2TRPV1
SCHEMBL9416606 0.79 NPC1 (0.82) KMT2AALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL11761142 0.79 NPC1 (0.82) KMT2AALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL16562244 0.79 RAB9A (0.74) KMT2AALDH1A1MAPTNPC1RAB9A
SCHEMBL2918147 0.78 NPC1 (0.83) LMNAKMT2AALDH1A1NPC1RAB9A
SCHEMBL6358788 0.78 ALDH1A1 (0.60) KMT2AALDH1A1MAPTNPC1RAB9A
SCHEMBL16685001 0.77 NPC1 (0.83) ALDH1A1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL4155602 0.75 NPC1 (0.69) LMNAKMT2AALDH1A1NPC1RAB9A
SCHEMBL8598019 0.75 NPC1 (0.69) LMNAKMT2AALDH1A1NPC1RAB9A

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-2069286-A1 INHIBITORS FOR GLYT-1 F. Hoffmann-Roche AG (CH) 2009-06-17 EP disclosed
WO-2008025694-A1 INHIBITORS FOR GLYT-1 F. HOFFMANN-LA ROCHE AG (CH) 2008-03-06 WO disclosed