SCHEMBL8312693

SCHEMBL8312693

Cc1cc(OCC=C2CC2)nc(Oc2cc(C(F)(F)F)nn2C)c1

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.40
ADORA2A P29274 1/20 0.39
ADORA1 P30542 1/20 0.39
ALDH1A1 P00352 1/20 0.37
TGFBR1 P36897 1/20 0.34
GPR119 Q8TDV5 1/20 0.33
CYP11B1 P15538 1/20 0.32
CYP11B2 P19099 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
SCHEMBL6278615 0.83 KMT2A (0.46) KMT2AADORA2AADORA1ALDH1A1TGFBR1
SCHEMBL6276491 0.83 KMT2A (0.41) KMT2AADORA2AADORA1ALDH1A1TGFBR1
SCHEMBL6276493 0.83 KMT2A (0.41) KMT2AADORA2AADORA1ALDH1A1TGFBR1
SCHEMBL6278619 0.83 KMT2A (0.46) KMT2AADORA2AADORA1ALDH1A1TGFBR1
SCHEMBL6280223 0.83 ADORA2A (0.50) KMT2AADORA2AADORA1ALDH1A1TGFBR1
SCHEMBL6278694 0.83 KMT2A (0.42) KMT2AADORA2AADORA1ALDH1A1TGFBR1
SCHEMBL6278697 0.83 KMT2A (0.42) KMT2AADORA2AADORA1ALDH1A1TGFBR1
SCHEMBL6610308 0.82 KMT2A (0.39) KMT2AADORA2AADORA1ALDH1A1TGFBR1
SCHEMBL6610310 0.82 KMT2A (0.39) KMT2AADORA2AADORA1ALDH1A1TGFBR1
SCHEMBL8310844 0.81 KMT2A (0.41) KMT2AADORA2AADORA1ALDH1A1TGFBR1

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