SCHEMBL8346240

SCHEMBL8346240

CC(C)(C)c1nc(S(C)(=O)=O)sc1Br

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
HTT P42858 1/20 0.37
RAB9A P51151 1/20 0.37
KMT2A Q03164 1/20 0.37
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA4 P22748 1/20 0.30
CA5A P35218 1/20 0.30
CA5B Q9Y2D0 1/20 0.30

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
SCHEMBL10242308 0.69 MEN1 (0.38) MEN1ALDH1A1MAPTHTTRAB9A
SCHEMBL77909 0.67 ALDH1A1 (0.42) MEN1ALDH1A1MAPTHTTRAB9A
SCHEMBL21720550 0.67 MEN1 (0.37) MEN1ALDH1A1MAPTHTTRAB9A
SCHEMBL16486114 0.65 TSHR (0.35) KMT2ACA1CA2CA4CA5A
SCHEMBL24499797 0.64
SCHEMBL16751984 0.64 ALDH1A1 (0.42) MEN1ALDH1A1MAPTHTTRAB9A
SCHEMBL21720560 0.64 MEN1 (0.36) MEN1ALDH1A1MAPTHTTRAB9A
SCHEMBL16432660 0.61 CA2 (0.48) CA1CA2CA4CA5ACA5B
SCHEMBL9413147 0.61 CA1 (0.47) MEN1ALDH1A1MAPTRAB9AKMT2A
SCHEMBL113995 0.60 NOS1 (0.41) ALDH1A1RAB9AKMT2ACA1CA2

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-1999011129-A1 ENANTIOMERICALLY ENRICHED COMPOSITIONS AND THEIR PESTICIDAL USE E.I. DU PONT DE NEMOURS AND COMPANY (US) 1999-03-11 WO disclosed