SCHEMBL2170672

SCHEMBL2170672

O=C(c1cccs1)N(CC1C2CN(S(=O)(=O)c3ccc(Oc4ccncc4)cc3)CC12)c1ccc(N2CCOCC2)c(F)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
MAOB P27338 2/20 0.39
ALDH1A1 P00352 4/20 0.36
TSHR P16473 2/20 0.36
MEN1 O00255 1/20 0.36
GAA P10253 4/20 0.35
LMNA P02545 4/20 0.35
HTT P42858 3/20 0.35
MAPK1 P28482 2/20 0.35
USP2 O75604 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
MAPT P10636 1/20 0.35
PKM P14618 1/20 0.35
SMN1; SMN2 Q16637 3/20 0.34
CHRM1 P11229 1/20 0.34
POLB P06746 1/20 0.34
KDM4E B2RXH2 1/20 0.34
GCK P35557 1/20 0.34

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 0.94 KMT2A (0.41) KMT2ANPC1RAB9AMAOBALDH1A1
SCHEMBL2170224 0.93 KMT2A (0.41) KMT2ANPC1RAB9AMAOBALDH1A1
SCHEMBL2168711 0.92 KMT2A (0.38) KMT2ANPC1RAB9AMAOBALDH1A1
SCHEMBL2167412 0.91 MAPT (0.44) KMT2ANPC1RAB9AMAOBALDH1A1
SCHEMBL2177825 0.90 KMT2A (0.45) KMT2ANPC1RAB9AMAOBALDH1A1
SCHEMBL2168254 0.90 KMT2A (0.41) KMT2ANPC1RAB9AMAOBALDH1A1
SCHEMBL2168988 0.89 KMT2A (0.44) KMT2ANPC1RAB9AMAOBALDH1A1
SCHEMBL2169110 0.89 KMT2A (0.44) KMT2ANPC1RAB9AMAOBALDH1A1
SCHEMBL2168443 0.89 KMT2A (0.44) KMT2ANPC1RAB9AMAOBALDH1A1
SCHEMBL2167946 0.88 NPC1 (0.39) KMT2ANPC1RAB9AMAOBALDH1A1

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