SCHEMBL3467231

SCHEMBL3467231

O=C(Nc1ccc(Cl)c(Cl)c1)Nc1nnc(CSc2ccccc2)s1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 9/20 1.00
MAPT P10636 9/20 1.00
MEN1 O00255 9/20 1.00
KMT2A Q03164 9/20 1.00
LMNA P02545 8/20 1.00
HTT P42858 6/20 1.00
RAB9A P51151 3/20 1.00
ALOX5 P09917 1/20 0.62
EPHX2 P34913 1/20 0.62
BLM P54132 3/20 0.54
GAA P10253 2/20 0.54
CA1 P00915 1/20 0.54
CA2 P00918 1/20 0.54
KDM4E B2RXH2 1/20 0.54
ALDH1A1 P00352 1/20 0.54
POLB P06746 1/20 0.54
DNMT1 P26358 1/20 0.54
DUSP3 P51452 1/20 0.54
CACNA1B Q00975 1/20 0.54
APBA1 Q02410 1/20 0.54

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
SCHEMBL3468497 0.82 SMN1; SMN2 (0.70) SMN1; SMN2MAPTMEN1KMT2ALMNA
SCHEMBL11875081 0.78 BLM (0.80) SMN1; SMN2MAPTMEN1KMT2ALMNA
SCHEMBL3467256 0.77 MEN1 (0.74) SMN1; SMN2MAPTMEN1KMT2ALMNA
SCHEMBL3467090 0.76 MEN1 (0.68) SMN1; SMN2MAPTMEN1KMT2ALMNA
SCHEMBL8561964 0.76 HTT (0.75) SMN1; SMN2MAPTMEN1KMT2ALMNA
SCHEMBL3468752 0.75 HTT (0.62) SMN1; SMN2MAPTMEN1KMT2ALMNA
SCHEMBL3467177 0.75 RAB9A (0.64) SMN1; SMN2MAPTMEN1KMT2ALMNA
SCHEMBL3467221 0.75 MAPT (0.77) SMN1; SMN2MAPTMEN1KMT2ALMNA
SCHEMBL8559872 0.75 HTT (0.73) SMN1; SMN2MAPTMEN1KMT2ALMNA
SCHEMBL3466712 0.75 MEN1 (0.67) SMN1; SMN2MAPTMEN1KMT2ALMNA

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