SCHEMBL8564879

SCHEMBL8564879

CCOc1ccnc(C#N)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSK P43235 5/20 0.38
KMO O15229 1/20 0.38
P2RX3 P56373 1/20 0.36
GABRG2 P18507 1/20 0.36
GABRB3 P28472 1/20 0.36
GABRA5 P31644 1/20 0.36
GABRA3 P34903 1/20 0.36
GAA P10253 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
GALR3 O60755 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
TSHR P16473 1/20 0.36
RAB9A P51151 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
NUDT1 P36639 1/20 0.35
MAPK8 P45983 1/20 0.35
SQOR Q9Y6N5 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL28865910 0.83 KMO (0.39) CTSKKMOP2RX3NUDT1CTSS
SCHEMBL3509231 0.81 CTSK (0.40) CTSKKMOALDH1A1RAB9AMEN1
SCHEMBL29868242 0.81 CTSK (0.40) CTSKKMOALDH1A1RAB9AMEN1
SCHEMBL5622413 0.80 KMO (0.42) CTSKKMOP2RX3ALDH1A1MEN1
SCHEMBL18709 0.77 CTSK (0.41) CTSKKMOSMN1; SMN2NUDT1CTSS
SCHEMBL23139167 0.73 CTSK (0.40) CTSKKMOTSHRTDP1CTSS
SCHEMBL18653531 0.73 ALOX5AP (0.37) CTSKKMOCTSSALOX5APFEN1
SCHEMBL2221308 0.72 KDM4E (0.40) SMN1; SMN2ALDH1A1RAB9ANUDT1MAPK8
SCHEMBL24351052 0.72 NUDT1 (0.39) SMN1; SMN2ALDH1A1LMNARAB9ANUDT1
SCHEMBL3817284 0.72 MAPK8 (0.41) SMN1; SMN2ALDH1A1LMNARAB9ANUDT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0586393-B1 SUBSTITUTED-2-PHENYL-3-METHOXYPROPENOATES AS FUNGICIDES ZENECA LTD (GB) 1998-06-17 EP disclosed
US-5439910-A For applying to plants, seeds or soils ZENECA LIMITED (GB) 1995-08-08 US disclosed
EP-0586393-A1 SUBSTITUTED-2-PHENYL-3-METHOXYPROPENOATES AS FUNGICIDES ZENECA LIMITED (GB) 1994-03-16 EP disclosed
WO-1992018487-A1 SUBSTITUTED-2-PHENYL-3-METHOXYPROPENOATES AS FUNGICIDES ZENECA LIMITED (GB) 1992-10-29 WO disclosed