SCHEMBL8569411

SCHEMBL8569411

Cn1nc(C(F)(F)F)cc1Oc1cccc(-c2noc(C(F)(F)F)n2)n1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.41
ADORA1 P30542 1/20 0.41
HDAC6 Q9UBN7 13/20 0.39
HDAC1 Q13547 11/20 0.39
HDAC8 Q9BY41 6/20 0.39
HDAC5 Q9UQL6 3/20 0.38
KMT2A Q03164 1/20 0.38
HDAC4 P56524 4/20 0.37
KCNT1 Q5JUK3 3/20 0.36
ALDH1A1 P00352 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
SCHEMBL8571130 0.80 ADORA2A (0.41) ADORA2AADORA1KMT2AKCNT1ALDH1A1
SCHEMBL7250243 0.80 ADORA2A (0.46) ADORA2AADORA1HDAC6HDAC1HDAC8
SCHEMBL8571955 0.78 ADORA2A (0.39) ADORA2AADORA1KMT2AKCNT1ALDH1A1
SCHEMBL7256400 0.77 ADORA2A (0.44) ADORA2AADORA1KMT2AALDH1A1
SCHEMBL5553184 0.76 ADORA2A (0.49) ADORA2AADORA1KMT2AALDH1A1
SCHEMBL7953446 0.75 KMT2A (0.50) ADORA2AADORA1HDAC6HDAC1HDAC8
SCHEMBL6613296 0.72 ADORA2A (0.48) ADORA2AADORA1KMT2AALDH1A1
SCHEMBL6613269 0.72 ADORA2A (0.46) ADORA2AADORA1KMT2AALDH1A1
SCHEMBL5140048 0.72 KDM4E (0.45) ADORA2AADORA1KMT2AALDH1A1
SCHEMBL6613579 0.71 ADORA2A (0.47) ADORA2AADORA1KMT2AKCNT1ALDH1A1

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
US-5750470-A Herbicidal 2,6-disubstituted pyridine compounds and compositions NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 1998-05-12 US disclosed