SCHEMBL3467541

SCHEMBL3467541

O=S(=O)(Nc1nnc(C2(c3ccc(C(F)(F)F)cc3)CC2)s1)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AADAT Q8N5Z0 1/20 0.56
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA9 Q16790 2/20 0.41
P2RY1 P47900 1/20 0.41
KDM1A O60341 1/20 0.39
SCN9A Q15858 12/20 0.39
CCR2 P41597 1/20 0.37
SCN5A Q14524 1/20 0.37

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
SCHEMBL3467670 0.89 AADAT (0.65) AADATMEN1KMT2ACA1CA2
SCHEMBL3467974 0.89 AADAT (0.58) AADATMEN1KMT2ACA1CA2
SCHEMBL3467620 0.78 MEN1 (0.40) AADATMEN1KMT2ACA1CA2
SCHEMBL3478056 0.76 ALDH1A1 (0.52) MEN1KMT2ACA1CA2CA9
SCHEMBL5389518 0.76 MEN1 (0.74) MEN1KMT2ACA1CA2CA9
SCHEMBL3467873 0.76 P2RY1 (0.46) MEN1KMT2ACA1CA2CA9
SCHEMBL3467310 0.71 MEN1 (0.43) AADATMEN1KMT2ACA1CA2
SCHEMBL3467036 0.71 MEN1 (0.53) MEN1KMT2ACA1CA2CA9
SCHEMBL3467235 0.70 ALDH1A1 (0.49) MEN1KMT2ACA1CA2CA9
SCHEMBL3467524 0.69 P2RY1 (0.44) MEN1KMT2ACA1CA2CA9

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 claimed