SCHEMBL2167946

SCHEMBL2167946

O=C(c1cccs1)N(CC1C2CN(S(=O)(=O)c3cccc(Oc4ccc(Cl)cc4)c3)CC12)c1ccc(N2CCOCC2)c(F)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
KMT2A Q03164 1/20 0.39
MAOB P27338 2/20 0.38
PKM P14618 1/20 0.38
GAA P10253 2/20 0.37
MAPK1 P28482 2/20 0.37
USP2 O75604 1/20 0.37
LMNA P02545 1/20 0.37
TSHR P16473 1/20 0.37
HTT P42858 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
ALDH1A1 P00352 3/20 0.36
TDP1 Q9NUW8 1/20 0.36
KDM4E B2RXH2 1/20 0.35
MAPT P10636 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MMP1 P03956 1/20 0.33
MMP9 P14780 1/20 0.33
MMP13 P45452 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
SCHEMBL2170224 0.95 KMT2A (0.41) NPC1RAB9AKMT2AMAOBPKM
SCHEMBL2167129 0.91 KMT2A (0.41) NPC1RAB9AKMT2AMAOBPKM
SCHEMBL2169110 0.91 KMT2A (0.44) NPC1RAB9AKMT2AMAOBPKM
SCHEMBL18887236 0.90 GAA (0.36) NPC1RAB9AKMT2AMAOBPKM
SCHEMBL2169453 0.90 NPC1 (0.40) NPC1RAB9AKMT2AMAOBPKM
SCHEMBL2170672 0.88 KMT2A (0.41) NPC1RAB9AKMT2AMAOBPKM
SCHEMBL2167412 0.86 MAPT (0.44) NPC1RAB9AKMT2AMAOBPKM
SCHEMBL2169102 0.86 NPC1 (0.42) NPC1RAB9AKMT2AMAOBPKM
SCHEMBL18887410 0.86 TSHR (0.39) NPC1RAB9AKMT2AMAOBGAA
SCHEMBL2168916 0.85 KMT2A (0.42) NPC1RAB9AKMT2AMAOBPKM

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