SCHEMBL28784609

SCHEMBL28784609

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 7/20 0.42
KMT2A Q03164 7/20 0.42
ALDH1A1 P00352 4/20 0.42
MAPT P10636 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
KDM4E B2RXH2 2/20 0.42
PDE10A Q9Y233 2/20 0.39
PPARG P37231 3/20 0.38
NCOA2 Q15596 3/20 0.38
NCOA1 Q15788 3/20 0.38
HPGD P15428 2/20 0.38
LMNA P02545 1/20 0.38
GAA P10253 1/20 0.38
HTT P42858 1/20 0.38
RAB9A P51151 6/20 0.38
NPC1 O15118 3/20 0.38
PTGDR2 Q9Y5Y4 3/20 0.38
NCOA3 Q9Y6Q9 2/20 0.36
ABCB1 P08183 1/20 0.36
ABCG2 Q9UNQ0 1/20 0.36

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
SCHEMBL27810967 0.93 MEN1 (0.40) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL28784607 0.88 KMT2A (0.43) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL28784613 0.84 MEN1 (0.40) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL3131583 0.83 MEN1 (0.39) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL27810966 0.83 MEN1 (0.40) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL3131577 0.82 KMT2A (0.47) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL3131413 0.81 MEN1 (0.40) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL3131940 0.81 DHODH (0.43) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL3132683 0.79 DHODH (0.41) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL3119888 0.78 MEN1 (0.38) MEN1KMT2AALDH1A1MAPTSMN1; SMN2

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