SCHEMBL3467864

SCHEMBL3467864

O=C(Nc1ccc(Cl)c(Cl)c1)Nc1nnc(SCc2cccc(C(F)(F)F)c2)s1

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.59
KMT2A Q03164 3/20 0.59
LMNA P02545 2/20 0.59
GAA P10253 1/20 0.59
NTRK1 P04629 5/20 0.55
NTRK2 Q16620 5/20 0.55
CCNC P24863 1/20 0.55
CDK8 P49336 1/20 0.55
MAPT P10636 2/20 0.54
SMN1; SMN2 Q16637 3/20 0.54
HTT P42858 2/20 0.54
RAB9A P51151 2/20 0.54
PTPN1 P18031 1/20 0.53
ABL1 P00519 5/20 0.52
SRC P12931 5/20 0.52
NPC1 O15118 1/20 0.50

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
SCHEMBL3467776 0.84 MEN1 (0.56) MEN1KMT2ALMNAGAAMAPT
SCHEMBL3467894 0.82 MEN1 (0.62) MEN1KMT2ALMNAGAANTRK1
SCHEMBL7429049 0.82 NTRK1 (0.62) MEN1KMT2ALMNAGAANTRK1
SCHEMBL7479841 0.81 NTRK1 (0.60) MEN1KMT2ALMNAGAANTRK1
SCHEMBL7427489 0.81 MEN1 (0.58) MEN1KMT2ALMNAGAANTRK1
SCHEMBL3467177 0.79 RAB9A (0.64) MEN1KMT2ALMNAGAANTRK1
SCHEMBL7426341 0.78 MEN1 (0.59) MEN1KMT2ALMNAGAANTRK1
SCHEMBL3467868 0.77 HTT (0.56) MEN1KMT2ALMNAGAAMAPT
SCHEMBL7426870 0.77 NTRK1 (0.64) MEN1KMT2ALMNAGAANTRK1
SCHEMBL12443228 0.75 MAPT (0.74) MEN1KMT2ALMNAGAANTRK1

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