SCHEMBL9851101

SCHEMBL9851101

Cc1ccccc1C(C#N)=COS(C)(=O)=O

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.33
HTT P42858 1/20 0.33
ALDH1A1 P00352 3/20 0.32
POLB P06746 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
KDM4E B2RXH2 1/20 0.32
FLT1 P17948 1/20 0.32
FLT4 P35916 1/20 0.32
KDR P35968 1/20 0.32
HPGD P15428 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
RECQL P46063 1/20 0.31
ERCC5 P28715 1/20 0.31
FEN1 P39748 1/20 0.31
TSHR P16473 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 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
SCHEMBL9851100 1.00 MAPT (0.33) MAPTHTTALDH1A1POLBSMN1; SMN2
SCHEMBL9514535 0.81 SMN1; SMN2 (0.43) MAPTALDH1A1SMN1; SMN2KDM4EHPGD
SCHEMBL9514545 0.81 SMN1; SMN2 (0.43) MAPTALDH1A1SMN1; SMN2KDM4EHPGD
SCHEMBL9851108 0.76 CYP1A2 (0.41) MAPTHTTALDH1A1SMN1; SMN2KDM4E
SCHEMBL9851110 0.75 MEN1 (0.42) MAPTALDH1A1POLBSMN1; SMN2KDM4E
SCHEMBL7978911 0.74 HPGD (0.36) HPGD
SCHEMBL29042859 0.73 TSHR (0.39) MAPTHTTALDH1A1KDM4EHPGD
SCHEMBL9851102 0.72 NPSR1 (0.42) MAPTHTTALDH1A1POLBSMN1; SMN2
SCHEMBL7605211 0.72 NPC1 (0.38) ALDH1A1POLBFLT1FLT4KDR
SCHEMBL21457314 0.71 TSHR (0.41) ALDH1A1POLBSMN1; SMN2KDM4EHPGD

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0439421-A1 Microbicidal agents CIBA-GEIGY AG (CH) 1991-07-31 EP claimed
EP-0439421-A1 Microbicidal agents CIBA-GEIGY AG (CH) 1991-07-31 EP disclosed