SCHEMBL12653113

SCHEMBL12653113

Cc1cc(C2=NCC(C)(c3cc(Cl)c(Cl)c(Cl)c3)C2)ccc1C(=O)NC1C[S+]([O-])C1

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
USP30 Q70CQ3 1/20 0.32
POLB P06746 1/20 0.30
GAA P10253 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
TSHR P16473 1/20 0.30
TTK P33981 2/20 0.30
CNR2 P34972 1/20 0.30
GLA P06280 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL12653280 0.88 RXRA (0.37) USP30TTK
SCHEMBL12653566 0.86 GLA (0.39) MEN1KMT2ANPC1RAB9AUSP30
SCHEMBL1805786 0.86 TTK (0.33) NPC1RAB9AUSP30POLBTTK
SCHEMBL12653281 0.81 RXRB (0.39)
SCHEMBL14790987 0.79 TTK (0.33) NPC1RAB9AUSP30TTKCNR2
SCHEMBL14961949 0.79 NPC1 (0.34) MEN1KMT2ANPC1RAB9AUSP30
SCHEMBL14728018 0.79 RORC (0.33) TTK
SCHEMBL14723582 0.79 RORC (0.33) TTK
SCHEMBL14723581 0.79 RORC (0.33) TTK
SCHEMBL12173977 0.78 TTK (0.33) USP30TTK

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-2011054871-A1 INSECTICIDAL ARYLPYRROLINE COMPOUNDS BAYER CROPSCIENCE AG (DE) 2011-05-12 WO disclosed