SCHEMBL8313674

SCHEMBL8313674

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

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.41
ADORA2A P29274 1/20 0.40
ADORA1 P30542 1/20 0.40
ALDH1A1 P00352 1/20 0.38
DGAT1 O75907 1/20 0.38
GPR119 Q8TDV5 1/20 0.38
SYK P43405 2/20 0.36
TGFBR1 P36897 2/20 0.35
PTGS2 P35354 3/20 0.34
PTGS1 P23219 1/20 0.34
RORC P51449 3/20 0.34
BRD4 O60885 2/20 0.33
FFAR4 Q5NUL3 1/20 0.33
MDM2 Q00987 1/20 0.33
RBP4 P02753 1/20 0.32
TTR P02766 1/20 0.32

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
SCHEMBL8310590 0.96 KMT2A (0.40) KMT2AADORA2AADORA1ALDH1A1DGAT1
SCHEMBL8315166 0.95 PTGS2 (0.40) KMT2AADORA2AADORA1ALDH1A1DGAT1
SCHEMBL8315159 0.90 KMT2A (0.41) KMT2AADORA2AADORA1ALDH1A1DGAT1
SCHEMBL8310561 0.90 MAOA (0.39) KMT2AADORA2AADORA1ALDH1A1DGAT1
SCHEMBL8311050 0.87 KMT2A (0.40) KMT2AADORA2AADORA1ALDH1A1GPR119
SCHEMBL8315527 0.86 KMT2A (0.39) KMT2AADORA2AADORA1ALDH1A1GPR119
SCHEMBL6280223 0.85 ADORA2A (0.50) KMT2AADORA2AADORA1ALDH1A1GPR119
SCHEMBL8315150 0.85 KMT2A (0.41) KMT2AADORA2AADORA1ALDH1A1GPR119
SCHEMBL8310855 0.83 KMT2A (0.38) KMT2AADORA2AADORA1ALDH1A1GPR119
SCHEMBL8310844 0.81 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