SCHEMBL28784607

SCHEMBL28784607

CC(C(=O)C(C)c1cc(Nc2nc(-c3cccnc3)c(F)s2)ccc1Oc1ccccc1)c1cc(Nc2nc(-c3cccnc3)c(F)s2)ccc1Oc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.43
ALDH1A1 P00352 4/20 0.43
MEN1 O00255 4/20 0.43
MAPT P10636 3/20 0.43
KDM4E B2RXH2 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
PPARG P37231 4/20 0.42
NCOA2 Q15596 4/20 0.42
NCOA1 Q15788 4/20 0.42
HPGD P15428 3/20 0.42
LMNA P02545 1/20 0.42
GAA P10253 1/20 0.42
HTT P42858 1/20 0.42
NCOA3 Q9Y6Q9 2/20 0.40
PTGDR2 Q9Y5Y4 3/20 0.40
DHODH Q02127 7/20 0.39
RAB9A P51151 2/20 0.39
PDE10A Q9Y233 1/20 0.39
MET P08581 1/20 0.38
NPC1 O15118 1/20 0.38

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
SCHEMBL27810966 0.93 MEN1 (0.40) KMT2AALDH1A1MEN1MAPTKDM4E
SCHEMBL28784609 0.88 MEN1 (0.42) KMT2AALDH1A1MEN1MAPTKDM4E
SCHEMBL3131577 0.85 KMT2A (0.47) KMT2AALDH1A1MEN1MAPTKDM4E
SCHEMBL28784611 0.84 ABL1 (0.39) KMT2AALDH1A1MEN1MAPTKDM4E
SCHEMBL27810967 0.82 MEN1 (0.40) KMT2AALDH1A1MEN1MAPTKDM4E
SCHEMBL3131413 0.81 MEN1 (0.40) KMT2AALDH1A1MEN1MAPTKDM4E
SCHEMBL3131940 0.81 DHODH (0.43) KMT2AALDH1A1MEN1MAPTKDM4E
SCHEMBL3132683 0.79 DHODH (0.41) KMT2AALDH1A1MEN1MAPTKDM4E
SCHEMBL3131583 0.79 MEN1 (0.39) KMT2AALDH1A1MEN1MAPTKDM4E
SCHEMBL3128663 0.78 MEN1 (0.43) KMT2AALDH1A1MEN1MAPTKDM4E

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
CN-101801964-A Heteroaryl substituted thiazoles and their use as antiviral agents ACHILLION PHARMACEUTICALS INC 2010-08-11 CN claimed