SCHEMBL2168893

SCHEMBL2168893

CC(=O)Nc1ccc(S(=O)(=O)N2CC3C(CN(C(=O)c4cccs4)c4ccc(N5CCOCC5)c(F)c4)C3C2)cc1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
ALDH1A1 P00352 7/20 0.46
MEN1 O00255 4/20 0.46
TSHR P16473 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.43
MAOB P27338 1/20 0.41
GAA P10253 2/20 0.41
KDM4E B2RXH2 2/20 0.41
HPGD P15428 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
MAPK1 P28482 2/20 0.40
MAPT P10636 4/20 0.39
USP2 O75604 1/20 0.39
LMNA P02545 1/20 0.39
HTT P42858 1/20 0.39
HSD17B10 Q99714 1/20 0.39
POLB P06746 1/20 0.39

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
SCHEMBL2167472 0.91 KMT2A (0.42) KMT2ANPC1RAB9AALDH1A1MEN1
SCHEMBL2168988 0.91 KMT2A (0.44) KMT2ANPC1RAB9AALDH1A1MEN1
SCHEMBL2177825 0.91 KMT2A (0.45) KMT2ANPC1RAB9AALDH1A1MEN1
SCHEMBL2167919 0.90 KMT2A (0.42) KMT2ANPC1RAB9AALDH1A1MEN1
SCHEMBL2168443 0.89 KMT2A (0.44) KMT2ANPC1RAB9AALDH1A1MEN1
SCHEMBL2169110 0.89 KMT2A (0.44) KMT2ANPC1RAB9AALDH1A1MEN1
SCHEMBL2167769 0.89 KMT2A (0.42) KMT2ANPC1RAB9AALDH1A1MEN1
SCHEMBL2168148 0.89 KMT2A (0.42) KMT2ANPC1RAB9AALDH1A1MEN1
SCHEMBL2167412 0.89 MAPT (0.44) KMT2ANPC1RAB9AALDH1A1MEN1
SCHEMBL2169061 0.89 KMT2A (0.43) KMT2ANPC1RAB9AALDH1A1MEN1

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