SCHEMBL2170119

SCHEMBL2170119

O=C(c1cccs1)N(CC1C2CN(S(=O)(=O)c3ccc4oc(=O)ccc4c3)CC12)c1ccc(N2CCOCC2)c(F)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.44
MAOB P27338 2/20 0.43
KMT2A Q03164 2/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
HTT P42858 2/20 0.39
GAA P10253 2/20 0.36
TSHR P16473 2/20 0.36
USP2 O75604 1/20 0.36
LMNA P02545 1/20 0.36
MAPK1 P28482 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
F10 P00742 1/20 0.36
ALDH1A1 P00352 3/20 0.35
POLB P06746 1/20 0.35
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
ACHE P22303 1/20 0.34
PKM P14618 1/20 0.34
GBA1 P04062 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
SCHEMBL2168916 0.91 KMT2A (0.42) SMN1; SMN2MAOBKMT2ANPC1RAB9A
SCHEMBL2177825 0.88 KMT2A (0.45) SMN1; SMN2MAOBKMT2ANPC1RAB9A
SCHEMBL2169110 0.86 KMT2A (0.44) SMN1; SMN2MAOBKMT2ANPC1RAB9A
SCHEMBL2168443 0.86 KMT2A (0.44) SMN1; SMN2MAOBKMT2ANPC1RAB9A
SCHEMBL2168988 0.86 KMT2A (0.44) SMN1; SMN2MAOBKMT2ANPC1RAB9A
SCHEMBL2168634 0.86 KMT2A (0.43) SMN1; SMN2MAOBKMT2ANPC1RAB9A
SCHEMBL2169061 0.86 KMT2A (0.43) SMN1; SMN2MAOBKMT2ANPC1RAB9A
SCHEMBL2168043 0.86 NPC1 (0.43) SMN1; SMN2MAOBKMT2ANPC1RAB9A
SCHEMBL2167966 0.86 KMT2A (0.43) MAOBKMT2ANPC1RAB9AHTT
SCHEMBL2167919 0.85 KMT2A (0.42) MAOBKMT2ANPC1RAB9AHTT

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