SCHEMBL2167434

SCHEMBL2167434

CC(C)(C#N)c1ccc(C(=O)N2CC3C(C2)C3CN(C(=O)c2cccs2)c2ccc(N3CCOCC3)c(F)c2)cc1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.41
RAB9A P51151 4/20 0.41
KMT2A Q03164 3/20 0.41
MAOB P27338 1/20 0.39
MEN1 O00255 1/20 0.39
USP30 Q70CQ3 3/20 0.36
SLC6A9 P48067 2/20 0.36
SLC6A5 Q9Y345 2/20 0.36
HPGD P15428 3/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
TP53 P04637 2/20 0.35
ALDH1A1 P00352 2/20 0.35
MAPT P10636 1/20 0.35
ALOX15 P16050 1/20 0.34
TSHR P16473 1/20 0.34
MAPK1 P28482 1/20 0.34
LMNA P02545 1/20 0.34
HTT P42858 1/20 0.33

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
SCHEMBL2170216 0.92 NPC1 (0.43) NPC1RAB9AKMT2AMAOBMEN1
SCHEMBL18887228 0.89 USP30 (0.37) NPC1RAB9AKMT2AMAOBMEN1
SCHEMBL2170320 0.87 NPC1 (0.44) NPC1RAB9AKMT2AMAOBMEN1
SCHEMBL2201301 0.86 SMN1; SMN2 (0.40) NPC1RAB9AKMT2AMEN1USP30
SCHEMBL4419952 0.84 USP30 (0.49) NPC1RAB9AKMT2AMAOBMEN1
SCHEMBL2169218 0.83 KMT2A (0.42) NPC1RAB9AKMT2AMAOBMEN1
SCHEMBL2169077 0.82 KMT2A (0.44) NPC1RAB9AKMT2AMAOBMEN1
SCHEMBL2180812 0.81 NPC1 (0.43) NPC1RAB9AKMT2AMAOBMEN1
SCHEMBL18887312 0.81 USP30 (0.39) NPC1RAB9AKMT2AMAOBMEN1
SCHEMBL2226067 0.81 USP30 (0.38) NPC1RAB9AMAOBUSP30SLC6A9

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
JP-4732354-B2 2011-07-27 JP claimed