SCHEMBL27876174

SCHEMBL27876174

CSCc1ccc(Br)nc1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CYP11B1 P15538 1/20 0.42
▸ GRM2 Q14416 1/20 0.36
▸ PARP1 P09874 1/20 0.36
▸ TRPV6 Q9H1D0 1/20 0.32
▸ NPC1 O15118 2/20 0.31
▸ RAB9A P51151 2/20 0.31
▸ NFKB1 P19838 1/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ NFKB2 Q00653 1/20 0.31
▸ RELA Q04206 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ CYP19A1 P11511 1/20 0.31

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
SCHEMBL9610886 0.77 SMN1; SMN2 (0.45) NPC1RAB9ASMN1; SMN2
SCHEMBL2180629 0.76 — —
SCHEMBL31728193 0.76 — —
SCHEMBL1146035 0.75 ALDH1A1 (0.47) SMN1; SMN2L3MBTL1
SCHEMBL30185830 0.75 ALDH1A1 (0.47) SMN1; SMN2L3MBTL1
SCHEMBL23478964 0.75 GABRP (0.48) RAB9ASMN1; SMN2
SCHEMBL12336888 0.73 HRH3 (0.40) NPC1RAB9ASMN1; SMN2L3MBTL1
SCHEMBL485115 0.73 — —
SCHEMBL29725206 0.73 — —
SCHEMBL1874677 0.72 SMN1; SMN2 (0.46) CYP11B1GRM2NPC1RAB9ANFKB1

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
CN-101535263-B Polysubstituted pyridyl sulfoximines and their use as pesticides DOW AGROSCIENCES LLC 2012-10-31 — — CN disclosed
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