SCHEMBL2168443

SCHEMBL2168443

O=C(c1cccs1)N(CC1C2CN(S(=O)(=O)c3ccc(Br)cc3)CC12)c1ccc(N2CCOCC2)c(F)c1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
MAOB P27338 2/20 0.42
TSHR P16473 2/20 0.39
ALDH1A1 P00352 2/20 0.39
MEN1 O00255 1/20 0.39
GAA P10253 4/20 0.38
LMNA P02545 3/20 0.38
USP2 O75604 1/20 0.38
MAPK1 P28482 1/20 0.38
HTT P42858 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
PKM P14618 2/20 0.38
POLB P06746 2/20 0.36
TDP1 Q9NUW8 1/20 0.35
CHRM2 P08172 1/20 0.35
CHRM3 P20309 1/20 0.35
SMN1; SMN2 Q16637 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 0.94 KMT2A (0.45) KMT2ANPC1RAB9AMAOBTSHR
SCHEMBL2169110 0.93 KMT2A (0.44) KMT2ANPC1RAB9AMAOBTSHR
SCHEMBL2168988 0.93 KMT2A (0.44) KMT2ANPC1RAB9AMAOBTSHR
SCHEMBL2168043 0.92 NPC1 (0.43) KMT2ANPC1RAB9AMAOBTSHR
SCHEMBL2167966 0.92 KMT2A (0.43) KMT2ANPC1RAB9AMAOBTSHR
SCHEMBL2168634 0.92 KMT2A (0.43) KMT2ANPC1RAB9AMAOBTSHR
SCHEMBL2169061 0.92 KMT2A (0.43) KMT2ANPC1RAB9AMAOBTSHR
SCHEMBL2167919 0.91 KMT2A (0.42) KMT2ANPC1RAB9AMAOBTSHR
SCHEMBL2167472 0.91 KMT2A (0.42) KMT2ANPC1RAB9AMAOBTSHR
SCHEMBL2169241 0.91 MAPT (0.43) KMT2ANPC1RAB9AMAOBTSHR

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