SCHEMBL13347759

SCHEMBL13347759

O=C(c1cccnc1)c1ccc(F)cc1F

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.50
ATM Q13315 1/20 0.50
MAPK14 Q16539 1/20 0.49
CES2 O00748 1/20 0.49
CES1 P23141 1/20 0.49
GAA P10253 2/20 0.47
ALDH1A1 P00352 1/20 0.47
APP P05067 1/20 0.47
HCAR3 P49019 1/20 0.47
HCAR2 Q8TDS4 1/20 0.47
AGTR1 P30556 1/20 0.47
OPRK1 P41145 1/20 0.47
RAB9A P51151 1/20 0.47
F7 P08709 1/20 0.46
F3 P13726 1/20 0.46
SARM1 Q6SZW1 1/20 0.46
SIRT2 Q8IXJ6 1/20 0.46
SIRT6 Q8N6T7 1/20 0.46
SIRT1 Q96EB6 1/20 0.46
SIRT3 Q9NTG7 1/20 0.46

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
SCHEMBL25306337 0.86 KMT2A (0.49) KMT2AATMMAPK14GAAALDH1A1
SCHEMBL14060274 0.82 ALDH1A1 (0.55) GAAALDH1A1AGTR1OPRK1RAB9A
SCHEMBL25308448 0.81 MAPT (0.50) KMT2AATMALDH1A1CYP1A1CYP1A2
SCHEMBL8801902 0.80 LTA4H (0.61) KMT2AMAPK14CES2CES1MEN1
SCHEMBL158348 0.80 CES2 (0.59) KMT2AATMMAPK14CES2CES1
SCHEMBL29765677 0.80 CES2 (0.59) KMT2AATMMAPK14CES2CES1
SCHEMBL30706504 0.79 AGTR1 (0.57) KMT2AATMCES2CES1GAA
SCHEMBL10487079 0.79 AGTR1 (0.57) KMT2AATMCES2CES1GAA
SCHEMBL30509806 0.78 KMT2A (0.45) KMT2AATMGAAALDH1A1APP
SCHEMBL29691445 0.78 LTA4H (0.63) KMT2AATMGAAALDH1A1APP

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
WO-2010069882-A1 ISOXAZOLE DERIVATIVES FOR USE AS FUNGICIDES SYNGENTA PARTICIPATIONS AG (CH) 2010-06-24 WO disclosed
WO-2010069881-A2 ISOXAZOLE DERIVATIVES FOR USE AS PLANT GROWTH REGULATORS SYNGENTA PARTICIPATIONS AG (CH) 2010-06-24 WO disclosed