SCHEMBL8315159

SCHEMBL8315159

Cc1cc(OCCC2CC2)nc(Oc2cc(C(F)(F)F)nn2C)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

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
GPR119 Q8TDV5 1/20 0.37
SYK P43405 1/20 0.35
ALOX5 P09917 4/20 0.34
PPARG P37231 3/20 0.34
TGFBR1 P36897 2/20 0.34
PTGES O14684 2/20 0.34
GRM5 P41594 1/20 0.34
FFAR4 Q5NUL3 1/20 0.33
DGAT1 O75907 1/20 0.33
PTGS2 P35354 1/20 0.31
PSEN1 P49768 1/20 0.31
SLC2A1 P11166 1/20 0.31
CTSL P07711 1/20 0.31
CTSS P25774 1/20 0.31
CTSK P43235 1/20 0.31
CYP11B1 P15538 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
SCHEMBL8313674 0.90 KMT2A (0.41) KMT2AADORA2AADORA1ALDH1A1GPR119
SCHEMBL8310590 0.86 KMT2A (0.40) KMT2AADORA2AADORA1ALDH1A1GPR119
SCHEMBL8315166 0.85 PTGS2 (0.40) KMT2AADORA2AADORA1ALDH1A1GPR119
SCHEMBL6280223 0.84 ADORA2A (0.50) KMT2AADORA2AADORA1ALDH1A1GPR119
SCHEMBL6612122 0.82 KMT2A (0.41) KMT2AADORA2AADORA1ALDH1A1GPR119
SCHEMBL8310561 0.82 MAOA (0.39) KMT2AADORA2AADORA1ALDH1A1GPR119
SCHEMBL6280190 0.81 KMT2A (0.40) KMT2AADORA2AADORA1ALDH1A1GPR119
SCHEMBL6276965 0.81 KMT2A (0.40) KMT2AADORA2AADORA1ALDH1A1GPR119
SCHEMBL6609351 0.81 ADORA2A (0.41) KMT2AADORA2AADORA1ALDH1A1GPR119
SCHEMBL8311050 0.81 KMT2A (0.40) 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