SCHEMBL6786340

SCHEMBL6786340

Cc1cc(C#N)cc(C)[n+]1[O-]

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.46
TTR P02766 2/20 0.39
ALB P02768 2/20 0.39
CYP2A6 P11509 2/20 0.39
ALDH1A1 P00352 1/20 0.39
VCAM1 P19320 2/20 0.37
HDAC8 Q9BY41 2/20 0.36
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
MTOR P42345 1/20 0.30
PLK1 P53350 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
SCHEMBL8270009 0.73 HDAC8 (0.45) TSHRTTRALBCYP2A6ALDH1A1
SCHEMBL667047 0.69 TSHR (0.57) TSHRALDH1A1KDM4E
SCHEMBL60145 0.67 TTR (0.50) TSHRTTRALBCYP2A6ALDH1A1
SCHEMBL501406 0.67 ALDH1A1 (0.52) TSHRTTRALBCYP2A6ALDH1A1
SCHEMBL1004620 0.67 ALDH1A1 (0.52) TSHRTTRALBCYP2A6ALDH1A1
SCHEMBL2884807 0.65 HDAC8 (0.45) TSHRCYP2A6ALDH1A1HDAC8KDM4E
SCHEMBL8240148 0.65 TSHR (0.52) TSHRALDH1A1KDM4EMEN1KMT2A
SCHEMBL898962 0.65 TSHR (0.52) TSHRALDH1A1KDM4E
SCHEMBL2153449 0.65 TTR (0.44) TSHRTTRALBCYP2A6ALDH1A1
SCHEMBL6550332 0.65 TSHR (0.52) TSHRALDH1A1KDM4E

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
US-20040116480-A1 Oxime ether compound and agricultural or horticultural bactericide NIPPON SODA CO., LTD. (JP) 2004-06-17 US disclosed
EP-1362850-A1 OXIME ETHER COMPOUND AND AGRICULTURAL OR HORTICULTURAL BACTERICIDE NIPPON SODA CO., LTD. (JP) 2003-11-19 EP disclosed