SCHEMBL8310561

SCHEMBL8310561

Cc1cc(OCC2CC=CCC2)nc(Oc2cc(C(F)(F)F)nn2C)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
KMT2A Q03164 1/20 0.38
ADORA2A P29274 1/20 0.37
ADORA1 P30542 1/20 0.37
PTGS2 P35354 1/20 0.35
GPR119 Q8TDV5 1/20 0.35
ALDH1A1 P00352 1/20 0.35
CDK1 P06493 2/20 0.32
CCNB1 P14635 2/20 0.32
CCNA2 P20248 2/20 0.32
CDK2 P24941 2/20 0.32
CCNA1 P78396 2/20 0.32
DGAT1 O75907 1/20 0.32
TGFBR1 P36897 1/20 0.32
SCN9A Q15858 1/20 0.32
SYK P43405 2/20 0.31
LMNA P02545 1/20 0.30
HTT P42858 1/20 0.30
RBP4 P02753 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) KMT2AADORA2AADORA1PTGS2GPR119
SCHEMBL8310590 0.88 KMT2A (0.40) KMT2AADORA2AADORA1PTGS2GPR119
SCHEMBL8315166 0.87 PTGS2 (0.40) MAOAMAOBKMT2AADORA2AADORA1
SCHEMBL8315159 0.82 KMT2A (0.41) KMT2AADORA2AADORA1PTGS2GPR119
SCHEMBL8311050 0.81 KMT2A (0.40) KMT2AADORA2AADORA1GPR119ALDH1A1
SCHEMBL8315527 0.81 KMT2A (0.39) KMT2AADORA2AADORA1GPR119ALDH1A1
SCHEMBL6280223 0.80 ADORA2A (0.50) KMT2AADORA2AADORA1PTGS2GPR119
SCHEMBL8315150 0.80 KMT2A (0.41) KMT2AADORA2AADORA1GPR119ALDH1A1
SCHEMBL8310855 0.78 KMT2A (0.38) KMT2AADORA2AADORA1GPR119ALDH1A1
SCHEMBL8310844 0.76 KMT2A (0.41) KMT2AADORA2AADORA1GPR119ALDH1A1

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