SCHEMBL2170224

SCHEMBL2170224

O=C(c1cccs1)N(CC1C2CN(S(=O)(=O)c3ccc(Oc4ccc(Cl)cc4)cc3)CC12)c1ccc(N2CCOCC2)c(F)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.41
RAB9A P51151 2/20 0.41
NPC1 O15118 1/20 0.41
MAOB P27338 2/20 0.39
TSHR P16473 4/20 0.38
MAPK1 P28482 2/20 0.38
LMNA P02545 2/20 0.38
HTT P42858 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38
GAA P10253 2/20 0.38
USP2 O75604 1/20 0.38
MMP9 P14780 2/20 0.37
MMP1 P03956 1/20 0.37
MMP13 P45452 1/20 0.37
ADAM17 P78536 1/20 0.37
ALDH1A1 P00352 4/20 0.36
MEN1 O00255 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL2169110 0.96 KMT2A (0.44) KMT2ARAB9ANPC1MAOBTSHR
SCHEMBL2167946 0.95 NPC1 (0.39) KMT2ARAB9ANPC1MAOBTSHR
SCHEMBL2167129 0.94 KMT2A (0.41) KMT2ARAB9ANPC1MAOBTSHR
SCHEMBL2170672 0.93 KMT2A (0.41) KMT2ARAB9ANPC1MAOBTSHR
SCHEMBL2167412 0.91 MAPT (0.44) KMT2ARAB9ANPC1MAOBTSHR
SCHEMBL2177825 0.90 KMT2A (0.45) KMT2ARAB9ANPC1MAOBTSHR
SCHEMBL2168254 0.90 KMT2A (0.41) KMT2ARAB9ANPC1MAOBTSHR
SCHEMBL18887410 0.89 TSHR (0.39) KMT2ARAB9ANPC1MAOBTSHR
SCHEMBL2168711 0.89 KMT2A (0.38) KMT2ARAB9ANPC1MAOBTSHR
SCHEMBL2168988 0.89 KMT2A (0.44) KMT2ARAB9ANPC1MAOBTSHR

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