SCHEMBL3467776

SCHEMBL3467776

O=C(Nc1ccc(Cl)c(Cl)c1)Nc1nnc(Cc2cccc(C(F)(F)F)c2)s1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 8/20 0.56
KMT2A Q03164 8/20 0.56
HTT P42858 5/20 0.56
SMN1; SMN2 Q16637 4/20 0.56
LMNA P02545 4/20 0.56
MAPT P10636 4/20 0.56
RAB9A P51151 2/20 0.56
MITF O75030 1/20 0.55
XBP1 P17861 1/20 0.55
PAX8 Q06710 1/20 0.55
NOD2 Q9HC29 1/20 0.55
ABL1 P00519 1/20 0.54
BLM P54132 4/20 0.52
GAA P10253 2/20 0.52
KDM4E B2RXH2 1/20 0.52
ALDH1A1 P00352 1/20 0.52
POLB P06746 1/20 0.52
DNMT1 P26358 1/20 0.52
DUSP3 P51452 1/20 0.52
CACNA1B Q00975 1/20 0.52

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
SCHEMBL3467467 0.89 MEN1 (0.62) MEN1KMT2AHTTSMN1; SMN2LMNA
SCHEMBL3467864 0.84 MEN1 (0.59) MEN1KMT2AHTTSMN1; SMN2LMNA
SCHEMBL3467926 0.83 SCD (0.51) MEN1KMT2AHTTSMN1; SMN2LMNA
SCHEMBL3466712 0.81 MEN1 (0.67) MEN1KMT2AHTTSMN1; SMN2LMNA
SCHEMBL3467858 0.81 SCD (0.55) MEN1KMT2AHTTSMN1; SMN2LMNA
SCHEMBL3467090 0.81 MEN1 (0.68) MEN1KMT2AHTTSMN1; SMN2LMNA
SCHEMBL5446263 0.81 MAPT (0.63) MEN1KMT2AHTTSMN1; SMN2LMNA
SCHEMBL3467868 0.79 HTT (0.56) MEN1KMT2AHTTSMN1; SMN2LMNA
SCHEMBL5447870 0.78 KMT2A (0.70) MEN1KMT2AHTTSMN1; SMN2LMNA
SCHEMBL3468497 0.78 SMN1; SMN2 (0.70) MEN1KMT2AHTTSMN1; SMN2LMNA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010073011-A2 COMPOUNDS USEFUL AS MEDICAMENTS BETAGENON AB (SE) 2010-07-01 WO claimed
WO-2010073011-A2 COMPOUNDS USEFUL AS MEDICAMENTS BETAGENON AB (SE) 2010-07-01 WO disclosed