SCHEMBL2167919

SCHEMBL2167919

CCc1ccc(S(=O)(=O)N2CC3C(CN(C(=O)c4cccs4)c4ccc(N5CCOCC5)c(F)c4)C3C2)cc1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
MAOB P27338 2/20 0.41
ALDH1A1 P00352 4/20 0.38
MEN1 O00255 3/20 0.38
TSHR P16473 2/20 0.38
GAA P10253 2/20 0.38
LMNA P02545 3/20 0.37
USP2 O75604 1/20 0.37
MAPK1 P28482 1/20 0.37
HTT P42858 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
POLB P06746 1/20 0.37
THRB P10828 1/20 0.37
RORC P51449 1/20 0.37
IL17A Q16552 1/20 0.37
PKM P14618 2/20 0.36
SLC6A9 P48067 1/20 0.35

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
SCHEMBL2167769 0.95 KMT2A (0.42) KMT2ANPC1RAB9AMAOBALDH1A1
SCHEMBL2167959 0.93 KMT2A (0.41) KMT2ANPC1RAB9AMAOBALDH1A1
SCHEMBL2168988 0.93 KMT2A (0.44) KMT2ANPC1RAB9AMAOBALDH1A1
SCHEMBL2177825 0.93 KMT2A (0.45) KMT2ANPC1RAB9AMAOBALDH1A1
SCHEMBL2167472 0.91 KMT2A (0.42) KMT2ANPC1RAB9AMAOBALDH1A1
SCHEMBL2168443 0.91 KMT2A (0.44) KMT2ANPC1RAB9AMAOBALDH1A1
SCHEMBL2169110 0.91 KMT2A (0.44) KMT2ANPC1RAB9AMAOBALDH1A1
SCHEMBL2167412 0.91 MAPT (0.44) KMT2ANPC1RAB9AMAOBALDH1A1
SCHEMBL2168148 0.91 KMT2A (0.42) KMT2ANPC1RAB9AMAOBALDH1A1
SCHEMBL2168043 0.91 NPC1 (0.43) 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