SCHEMBL2168254

SCHEMBL2168254

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
MAOB P27338 2/20 0.40
KCNA5 P22460 1/20 0.39
TSHR P16473 2/20 0.37
ALDH1A1 P00352 2/20 0.37
MEN1 O00255 2/20 0.37
TRPM8 Q7Z2W7 1/20 0.37
PKM P14618 1/20 0.37
GAA P10253 5/20 0.36
MAPT P10636 3/20 0.36
MAPK1 P28482 2/20 0.36
LMNA P02545 2/20 0.36
USP2 O75604 1/20 0.36
HTT P42858 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
TP53 P04637 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HSD11B1 P28845 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
SCHEMBL2167412 0.92 MAPT (0.44) KMT2ANPC1RAB9AMAOBTSHR
SCHEMBL2167966 0.92 KMT2A (0.43) KMT2ANPC1RAB9AMAOBTSHR
SCHEMBL2167129 0.91 KMT2A (0.41) KMT2ANPC1RAB9AMAOBTSHR
SCHEMBL2177825 0.91 KMT2A (0.45) KMT2ANPC1RAB9AMAOBTSHR
SCHEMBL2170224 0.90 KMT2A (0.41) KMT2ANPC1RAB9AMAOBTSHR
SCHEMBL2170672 0.90 KMT2A (0.41) KMT2ANPC1RAB9AMAOBTSHR
SCHEMBL2167919 0.90 KMT2A (0.42) KMT2ANPC1RAB9AMAOBTSHR
SCHEMBL2169110 0.89 KMT2A (0.44) KMT2ANPC1RAB9AMAOBTSHR
SCHEMBL2168988 0.89 KMT2A (0.44) KMT2ANPC1RAB9AMAOBTSHR
SCHEMBL2168443 0.89 KMT2A (0.44) 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