SCHEMBL3476471

SCHEMBL3476471

O=C(Nc1ccc(Cl)c(Cl)c1)Nc1nnc(C2(c3ccc(C(F)(F)F)cc3)CC2)s1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 4/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
BLM P54132 8/20 0.52
MEN1 O00255 3/20 0.52
LMNA P02545 3/20 0.52
KMT2A Q03164 3/20 0.52
WRN Q14191 2/20 0.52
KDM4E B2RXH2 1/20 0.52
ALDH1A1 P00352 1/20 0.52
POLB P06746 1/20 0.52
GAA P10253 1/20 0.52
DNMT1 P26358 1/20 0.52
DUSP3 P51452 1/20 0.52
CACNA1B Q00975 1/20 0.52
APBA1 Q02410 1/20 0.52
MCL1 Q07820 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
CA1 P00915 3/20 0.49
CA2 P00918 3/20 0.49
HPN P05981 1/20 0.48

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
SCHEMBL3467541 0.77 AADAT (0.56) MEN1KMT2ACA1CA2CA9
SCHEMBL3467467 0.77 MEN1 (0.62) HTTSMN1; SMN2BLMMEN1LMNA
SCHEMBL8561139 0.76 HTT (0.67) HTTSMN1; SMN2BLMMEN1LMNA
SCHEMBL11863849 0.72 HTT (0.64) HTTSMN1; SMN2BLMMEN1LMNA
SCHEMBL8561964 0.72 HTT (0.75) HTTSMN1; SMN2BLMMEN1LMNA
SCHEMBL3467868 0.71 HTT (0.56) HTTSMN1; SMN2BLMMEN1LMNA
SCHEMBL8559872 0.71 HTT (0.73) HTTSMN1; SMN2BLMMEN1LMNA
SCHEMBL3467776 0.71 MEN1 (0.56) HTTSMN1; SMN2BLMMEN1LMNA
SCHEMBL8569537 0.70 HTT (1.00) HTTSMN1; SMN2BLMMEN1LMNA
SCHEMBL8563911 0.69 RAB9A (0.74) HTTSMN1; SMN2BLMMEN1LMNA

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