SCHEMBL11082090

SCHEMBL11082090

Cc1cnc(Oc2cccc(C(F)(F)F)c2)nc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.50
L3MBTL1 Q9Y468 3/20 0.50
POLB P06746 2/20 0.50
RAB9A P51151 1/20 0.48
RXRA P19793 1/20 0.48
GRIN1 Q05586 1/20 0.48
GRIN2B Q13224 1/20 0.48
KMT2A Q03164 3/20 0.47
MEN1 O00255 2/20 0.47
HTT P42858 1/20 0.47
KDM4E B2RXH2 1/20 0.46
MAPT P10636 1/20 0.45
MAPK1 P28482 1/20 0.45
P2RY1 P47900 1/20 0.45
NPSR1 Q6W5P4 2/20 0.44
PPP1CA P62136 1/20 0.44
MCOLN3 Q8TDD5 1/20 0.44
F10 P00742 1/20 0.43
EGFR P00533 1/20 0.43
BTK Q06187 1/20 0.43

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
SCHEMBL11573132 0.84 L3MBTL1 (0.50) ALDH1A1L3MBTL1POLBRAB9AKMT2A
SCHEMBL22405000 0.84 L3MBTL1 (0.50) ALDH1A1L3MBTL1POLBRAB9AKMT2A
SCHEMBL22534762 0.84 L3MBTL1 (0.50) ALDH1A1L3MBTL1POLBKDM4EMAPT
SCHEMBL24156281 0.83 KMT2A (0.50) ALDH1A1L3MBTL1POLBRAB9AGRIN1
SCHEMBL11083601 0.83 L3MBTL1 (0.49) ALDH1A1L3MBTL1POLBRAB9AKMT2A
SCHEMBL22405034 0.81 MGLL (0.53) ALDH1A1L3MBTL1POLBRAB9AKMT2A
SCHEMBL30091779 0.81 MGLL (0.53) ALDH1A1L3MBTL1POLBRAB9AKMT2A
SCHEMBL24155631 0.80 EGFR (0.44) ALDH1A1L3MBTL1POLBRAB9AKMT2A
SCHEMBL24155843 0.80 ALOX5AP (0.43) ALDH1A1L3MBTL1POLBGRIN1GRIN2B
SCHEMBL21399637 0.80 HTT (0.67) ALDH1A1L3MBTL1RXRAGRIN1GRIN2B

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4427437-A PLANT GROWTH REGULATORS ICI AUSTRALIA LIMITED (AU) 1984-01-24 US disclosed
EP-0001187-B1 2-PHENOXY-PYRIMIDINES AND THEIR USE AS PESTICIDES ICI AUSTRALIA LIMITED (AU) 1983-12-07 EP disclosed
EP-0001187-A1 2-phenoxy-pyrimidines and their use as pesticides ICI AUSTRALIA LIMITED (AU) 1979-03-21 EP disclosed