SCHEMBL2167412

SCHEMBL2167412

COc1ccc(S(=O)(=O)N2CC3C(CN(C(=O)c4cccs4)c4ccc(N5CCOCC5)c(F)c4)C3C2)cc1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.44
MAPK1 P28482 1/20 0.44
PKM P14618 2/20 0.43
KMT2A Q03164 3/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
LMNA P02545 2/20 0.41
ALDH1A1 P00352 5/20 0.41
MAOB P27338 1/20 0.41
GAA P10253 2/20 0.40
MEN1 O00255 2/20 0.39
MMP1 P03956 1/20 0.38
MMP3 P08254 1/20 0.38
MMP7 P09237 1/20 0.38
MMP9 P14780 1/20 0.38
MMP13 P45452 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
HTT P42858 1/20 0.38
TSHR P16473 1/20 0.38

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
SCHEMBL2167129 0.92 KMT2A (0.41) MAPTMAPK1PKMKMT2ANPC1
SCHEMBL2168988 0.92 KMT2A (0.44) MAPK1KMT2ANPC1RAB9ALMNA
SCHEMBL2177825 0.92 KMT2A (0.45) MAPK1PKMKMT2ANPC1RAB9A
SCHEMBL2168254 0.92 KMT2A (0.41) MAPTMAPK1PKMKMT2ANPC1
SCHEMBL2170672 0.91 KMT2A (0.41) MAPTMAPK1PKMKMT2ANPC1
SCHEMBL2170224 0.91 KMT2A (0.41) MAPTMAPK1PKMKMT2ANPC1
SCHEMBL2167472 0.91 KMT2A (0.42) MAPTMAPK1PKMKMT2ANPC1
SCHEMBL2167919 0.91 KMT2A (0.42) MAPK1PKMKMT2ANPC1RAB9A
SCHEMBL2169110 0.91 KMT2A (0.44) MAPTMAPK1PKMKMT2ANPC1
SCHEMBL2168443 0.91 KMT2A (0.44) MAPK1PKMKMT2ANPC1RAB9A

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