SCHEMBL8310855

SCHEMBL8310855

Cc1cc(OCC2CC2(C)C(F)(F)F)nc(Oc2cc(C(F)(F)F)nn2C)c1

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.38
ADORA2A P29274 1/20 0.37
ADORA1 P30542 1/20 0.37
ALDH1A1 P00352 1/20 0.35
GPR119 Q8TDV5 1/20 0.33
TGFBR1 P36897 1/20 0.32
TRPV1 Q8NER1 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
SCHEMBL8315150 0.88 KMT2A (0.41) KMT2AADORA2AADORA1ALDH1A1GPR119
SCHEMBL8313674 0.83 KMT2A (0.41) KMT2AADORA2AADORA1ALDH1A1GPR119
SCHEMBL8310590 0.81 KMT2A (0.40) KMT2AADORA2AADORA1ALDH1A1GPR119
SCHEMBL8311050 0.81 KMT2A (0.40) KMT2AADORA2AADORA1ALDH1A1GPR119
SCHEMBL8315166 0.81 PTGS2 (0.40) KMT2AADORA2AADORA1ALDH1A1GPR119
SCHEMBL8315527 0.81 KMT2A (0.39) KMT2AADORA2AADORA1ALDH1A1GPR119
SCHEMBL8310844 0.80 KMT2A (0.41) KMT2AADORA2AADORA1ALDH1A1GPR119
SCHEMBL6280223 0.80 ADORA2A (0.50) KMT2AADORA2AADORA1ALDH1A1GPR119
SCHEMBL8314841 0.79 BLM (0.34) TGFBR1TRPV1
SCHEMBL8315159 0.78 KMT2A (0.41) KMT2AADORA2AADORA1ALDH1A1GPR119

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-0955292-A1 Herbicidal 2-(cycloalk(en)yloxy)-6-(hetero)aryloxy(thio)pyridines American Cyanamid Company (US) 1999-11-10 EP claimed
EP-0955292-A1 Herbicidal 2-(cycloalk(en)yloxy)-6-(hetero)aryloxy(thio)pyridines American Cyanamid Company (US) 1999-11-10 EP disclosed