SCHEMBL3467894

SCHEMBL3467894

O=C(Nc1ccc(Cl)c(Cl)c1)Nc1nnc(SCc2ccc(F)cc2)s1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 4/20 0.62
▸ KMT2A Q03164 4/20 0.62
▸ LMNA P02545 4/20 0.62
▸ MAPT P10636 3/20 0.62
▸ GAA P10253 1/20 0.62
▸ SMN1; SMN2 Q16637 6/20 0.62
▸ HTT P42858 5/20 0.62
▸ CYP1A2 P05177 1/20 0.62
▸ CYP2C19 P33261 1/20 0.62
▸ ABL1 P00519 5/20 0.62
▸ SRC P12931 5/20 0.62
▸ HIF1A Q16665 1/20 0.59
▸ KDM4E B2RXH2 2/20 0.58
▸ HSP90AA1 P07900 1/20 0.58
▸ OPRK1 P41145 1/20 0.58
▸ TDP1 Q9NUW8 1/20 0.58
▸ RAB9A P51151 1/20 0.57
▸ L3MBTL1 Q9Y468 1/20 0.56
▸ NTRK1 P04629 1/20 0.55
▸ NTRK2 Q16620 1/20 0.55

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
SCHEMBL3467177 0.84 RAB9A (0.64) MEN1KMT2ALMNAMAPTGAA
SCHEMBL3467864 0.82 MEN1 (0.59) MEN1KMT2ALMNAMAPTGAA
SCHEMBL3466712 0.82 MEN1 (0.67) MEN1KMT2ALMNAMAPTGAA
SCHEMBL7476339 0.77 MAPT (0.67) MEN1KMT2ALMNAMAPTGAA
SCHEMBL8565680 0.77 MAPT (0.60) MEN1KMT2ALMNAMAPTGAA
SCHEMBL16971035 0.76 ABL1 (1.00) MEN1KMT2ALMNAMAPTSMN1; SMN2
SCHEMBL8561964 0.74 HTT (0.75) MEN1KMT2ALMNAMAPTGAA
SCHEMBL8559872 0.73 HTT (0.73) MEN1KMT2ALMNAMAPTGAA
SCHEMBL7481013 0.73 MAPT (0.63) MEN1KMT2ALMNAMAPTGAA
SCHEMBL7480423 0.73 MAPT (0.66) MEN1KMT2ALMNAMAPTGAA

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
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