SCHEMBL3467385

SCHEMBL3467385

O=C(Nc1ccc(Cl)c(Cl)c1)Nc1nnc(-c2ccccc2F)s1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.69
NPC1 O15118 5/20 0.69
MAPT P10636 3/20 0.65
BLM P54132 7/20 0.64
HTT P42858 3/20 0.64
MEN1 O00255 3/20 0.64
KMT2A Q03164 3/20 0.64
KDM4E B2RXH2 2/20 0.64
LMNA P02545 2/20 0.64
ALDH1A1 P00352 1/20 0.64
POLB P06746 1/20 0.64
GAA P10253 1/20 0.64
DNMT1 P26358 1/20 0.64
DUSP3 P51452 1/20 0.64
CACNA1B Q00975 1/20 0.64
APBA1 Q02410 1/20 0.64
MCL1 Q07820 1/20 0.64
WRN Q14191 1/20 0.64
TDP1 Q9NUW8 1/20 0.64
SMN1; SMN2 Q16637 3/20 0.64

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
SCHEMBL11875081 0.84 BLM (0.80) RAB9ANPC1MAPTBLMHTT
SCHEMBL3467256 0.81 MEN1 (0.74) RAB9ANPC1MAPTBLMHTT
SCHEMBL8561964 0.79 HTT (0.75) RAB9ANPC1MAPTBLMHTT
SCHEMBL3467221 0.79 MAPT (0.77) RAB9AMAPTBLMHTTMEN1
SCHEMBL3467177 0.79 RAB9A (0.64) RAB9ANPC1MAPTBLMHTT
SCHEMBL8559872 0.78 HTT (0.73) RAB9ANPC1MAPTBLMHTT
SCHEMBL24232990 0.78 NPC1 (0.67) RAB9ANPC1MAPTBLMHTT
SCHEMBL8569537 0.77 HTT (1.00) RAB9ANPC1MAPTBLMHTT
SCHEMBL2030731 0.77 HPN (1.00) RAB9ANPC1BLMHTTMEN1
SCHEMBL12642191 0.77 BLM (0.78) RAB9ANPC1BLMHTTMEN1

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