SCHEMBL10327544

SCHEMBL10327544

C#Cc1c(SC)nc(NC(C)=O)nc1SCC(=O)Nc1cccc(C(F)(F)F)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 8/20 0.50
▸ SMN1; SMN2 Q16637 5/20 0.50
▸ LMNA P02545 4/20 0.50
▸ TP53 P04637 4/20 0.50
▸ HPGD P15428 4/20 0.50
▸ KMT2A Q03164 3/20 0.50
▸ L3MBTL1 Q9Y468 3/20 0.50
▸ MEN1 O00255 2/20 0.50
▸ RXFP1 Q9HBX9 2/20 0.50
▸ THRB P10828 1/20 0.50
▸ PKM P14618 1/20 0.50
▸ TSHR P16473 1/20 0.49
▸ ALDH1A1 P00352 3/20 0.48
▸ KDM4E B2RXH2 2/20 0.48
▸ GAA P10253 1/20 0.48
▸ POLB P06746 2/20 0.47
▸ HTT P42858 2/20 0.46
▸ NPSR1 Q6W5P4 2/20 0.46
▸ PPARG P37231 1/20 0.46
▸ NCOA2 Q15596 1/20 0.46

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
SCHEMBL966826 0.91 KMT2A (0.61) MAPTSMN1; SMN2LMNATP53HPGD
SCHEMBL10327084 0.88 LMNA (0.52) MAPTSMN1; SMN2LMNATP53HPGD
SCHEMBL964265 0.80 KMT2A (0.78) MAPTSMN1; SMN2LMNATP53HPGD
SCHEMBL10327510 0.79 LMNA (0.55) MAPTSMN1; SMN2LMNATP53HPGD
SCHEMBL8788041 0.72 ALDH1A1 (0.67) MAPTSMN1; SMN2LMNATP53HPGD
SCHEMBL964536 0.71 KMT2A (0.61) MAPTSMN1; SMN2LMNATP53HPGD
SCHEMBL966531 0.71 MAPT (0.46) MAPTSMN1; SMN2LMNATP53HPGD
SCHEMBL1007657 0.71 LMNA (0.56) MAPTSMN1; SMN2LMNATP53HPGD
SCHEMBL966062 0.71 MAPT (0.40) MAPTSMN1; SMN2LMNATP53HPGD
SCHEMBL968564 0.70 KMT2A (0.61) MAPTSMN1; SMN2LMNATP53HPGD

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
EP-1678168-B1 P70S6 KINASE MODULATORS AND METHOD OF USE EXELIXIS INC (US) 2012-07-11 — — EP disclosed
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