SCHEMBL29199070

SCHEMBL29199070

O=C(OC(F)F)c1cccnc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.61
MAPT P10636 3/20 0.56
KMT2A Q03164 8/20 0.55
ATM Q13315 1/20 0.55
APP P05067 1/20 0.53
GAA P10253 1/20 0.53
HCAR3 P49019 1/20 0.53
HCAR2 Q8TDS4 1/20 0.53
F7 P08709 1/20 0.52
F3 P13726 1/20 0.52
SARM1 Q6SZW1 1/20 0.52
SIRT2 Q8IXJ6 1/20 0.52
SIRT6 Q8N6T7 1/20 0.52
SIRT1 Q96EB6 1/20 0.52
SIRT3 Q9NTG7 1/20 0.52
SIRT5 Q9NXA8 1/20 0.52
SIRT4 Q9Y6E7 1/20 0.52
LMNA P02545 4/20 0.51
TDP1 Q9NUW8 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.50

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
SCHEMBL30241119 1.00 ALDH1A1 (0.61) ALDH1A1MAPTKMT2AATMAPP
SCHEMBL25391376 0.82 ALDH1A1 (0.61) ALDH1A1MAPTKMT2AATMAPP
SCHEMBL1628833 0.82 ALDH1A1 (0.78) ALDH1A1MAPTKMT2AATMAPP
SCHEMBL30827513 0.82 ALDH1A1 (0.78) ALDH1A1MAPTKMT2AATMAPP
SCHEMBL22808188 0.81 ALDH1A1 (0.56) ALDH1A1MAPTKMT2AATMAPP
SCHEMBL29458655 0.81 ALDH1A1 (0.76) ALDH1A1MAPTKMT2AATMAPP
Ammonia Solution, Strong SCHEMBL27461059 0.81 ALDH1A1 (0.76) ALDH1A1MAPTKMT2AATMAPP
Hydrochloric Acid SCHEMBL8066446 0.81 ALDH1A1 (0.76) ALDH1A1MAPTKMT2AATMAPP
SCHEMBL6953040 0.79 ALDH1A1 (0.67) ALDH1A1MAPTKMT2AATMAPP
SCHEMBL847660 0.79 ALDH1A1 (0.62) ALDH1A1MAPTKMT2AATMAPP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117794928-A Substituted 1,2, 4-thiadiazolyl nicotinamide, salts or N-oxides thereof and their use as herbicidal active substances 拜耳公司 2024-03-29 CN disclosed