SCHEMBL3467974

SCHEMBL3467974

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

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AADAT Q8N5Z0 1/20 0.58
MEN1 O00255 5/20 0.46
KMT2A Q03164 5/20 0.46
LMNA P02545 2/20 0.46
ALOX12 P18054 1/20 0.46
HTT P42858 1/20 0.46
CA1 P00915 4/20 0.45
CA2 P00918 3/20 0.45
CA9 Q16790 3/20 0.45
KDM1A O60341 2/20 0.43
ALDH1A1 P00352 2/20 0.43
MAPT P10636 2/20 0.43
CCR1 P32246 1/20 0.41
SCN1A P35498 1/20 0.39
SCN5A Q14524 1/20 0.39
SCN8A Q9UQD0 1/20 0.39
POLB P06746 1/20 0.39
KLKB1 P03952 1/20 0.39
CTSB P07858 1/20 0.39
ELANE P08246 1/20 0.39

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 0.91 AADAT (0.65) AADATMEN1KMT2ALMNAALOX12
SCHEMBL3467541 0.89 AADAT (0.56) AADATMEN1KMT2ACA1CA2
SCHEMBL3467310 0.82 MEN1 (0.43) AADATMEN1KMT2ALMNAALOX12
SCHEMBL3467885 0.74 ALDH1A1 (0.65) MEN1KMT2ALMNAALOX12HTT
SCHEMBL3468523 0.72 ALDH1A1 (0.52) MEN1KMT2ALMNAALOX12HTT
SCHEMBL5388834 0.72 KMT2A (0.59) MEN1KMT2ALMNAALOX12HTT
SCHEMBL3466833 0.71 ALDH1A1 (0.54) MEN1KMT2ALMNAALDH1A1MAPT
SCHEMBL3467663 0.71 CA1 (0.74) MEN1KMT2ALMNAALOX12HTT
SCHEMBL9796293 0.71 CA1 (0.81) CA1CA2CA9
SCHEMBL5389518 0.70 MEN1 (0.74) MEN1KMT2ALMNAALOX12HTT

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