SCHEMBL14067697

SCHEMBL14067697

CCOc1nc(CCl)cs1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.54
MAPT P10636 4/20 0.54
RAB9A P51151 3/20 0.54
SMN1; SMN2 Q16637 3/20 0.54
NPC1 O15118 2/20 0.54
ALDH1A1 P00352 9/20 0.47
POLB P06746 1/20 0.44
GAA P10253 1/20 0.44
TDP1 Q9NUW8 6/20 0.41
KMT2A Q03164 3/20 0.41
GFER P55789 3/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
LMNA P02545 5/20 0.38
PPARG P37231 1/20 0.37
NCOA2 Q15596 1/20 0.37
NCOA1 Q15788 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
MEN1 O00255 2/20 0.34
HPGD P15428 1/20 0.32
PKM P14618 1/20 0.32

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
SCHEMBL7982657 0.80
SCHEMBL3765464 0.77 POLB (0.39) KDM4EMAPTRAB9ASMN1; SMN2NPC1
SCHEMBL7503878 0.75 SMN1; SMN2 (0.48) KDM4EMAPTRAB9ASMN1; SMN2NPC1
SCHEMBL2628982 0.74
SCHEMBL743307 0.72
Bromide SCHEMBL28091559 0.72 POLB (0.45) KDM4EMAPTRAB9ASMN1; SMN2NPC1
SCHEMBL8010097 0.72
SCHEMBL1053330 0.69
SCHEMBL13718530 0.69 HTR1A (0.42) KDM4EMAPTSMN1; SMN2NPC1ALDH1A1
SCHEMBL14621146 0.69 ELANE (0.38) KDM4EMAPTRAB9ASMN1; SMN2NPC1

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
EP-1704143-B1 MALONONITRILE COMPOUND AS PESTICIDES SUMITOMO CHEMICAL CO (JP) 2008-09-03 EP disclosed