SCHEMBL2168916

SCHEMBL2168916

O=C(c1cccs1)N(CC1C2CN(S(=O)(=O)c3ccc4ccccc4c3)CC12)c1ccc(N2CCOCC2)c(F)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
MAOB P27338 2/20 0.41
GAA P10253 2/20 0.39
TSHR P16473 3/20 0.39
LMNA P02545 2/20 0.39
USP2 O75604 1/20 0.39
MAPK1 P28482 1/20 0.39
HTT P42858 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
MEN1 O00255 2/20 0.38
PKM P14618 2/20 0.38
ALDH1A1 P00352 5/20 0.37
KDM4E B2RXH2 3/20 0.37
HPGD P15428 1/20 0.37
TDP1 Q9NUW8 1/20 0.36
MAPT P10636 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
POLB P06746 1/20 0.35

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
SCHEMBL2177825 0.91 KMT2A (0.45) KMT2ANPC1RAB9AMAOBGAA
SCHEMBL2168634 0.91 KMT2A (0.43) KMT2ANPC1RAB9AMAOBGAA
SCHEMBL2170119 0.91 SMN1; SMN2 (0.44) KMT2ANPC1RAB9AMAOBGAA
SCHEMBL2167129 0.90 KMT2A (0.41) KMT2ANPC1RAB9AMAOBGAA
SCHEMBL2168988 0.90 KMT2A (0.44) KMT2ANPC1RAB9AMAOBGAA
SCHEMBL2168443 0.90 KMT2A (0.44) KMT2ANPC1RAB9AMAOBGAA
SCHEMBL2169110 0.90 KMT2A (0.44) KMT2ANPC1RAB9AMAOBGAA
SCHEMBL2168148 0.89 KMT2A (0.42) KMT2ANPC1RAB9AMAOBGAA
SCHEMBL2167412 0.89 MAPT (0.44) KMT2ANPC1RAB9AMAOBGAA
SCHEMBL2169102 0.89 NPC1 (0.42) KMT2ANPC1RAB9AMAOBGAA

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