SCHEMBL28204817

SCHEMBL28204817

CCN(C(=O)c1ccccc1)N(CC)C(F)(F)F

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.49
▸ HPGD P15428 2/20 0.49
▸ MAPT P10636 1/20 0.45
▸ MLYCD O95822 5/20 0.44
▸ HDAC1 Q13547 1/20 0.43
▸ HDAC6 Q9UBN7 1/20 0.43
▸ LMNA P02545 1/20 0.42
▸ CES1 P23141 1/20 0.41
▸ PGR P06401 1/20 0.41
▸ ADRA2A P08913 1/20 0.41
▸ ADRA2B P18089 1/20 0.41
▸ HTR2A P28223 1/20 0.41
▸ HRH1 P35367 1/20 0.41
▸ KCNH2 Q12809 1/20 0.41
▸ NR1H2 P55055 1/20 0.41
▸ NR1H3 Q13133 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ TSHR P16473 1/20 0.40
▸ MAPK1 P28482 1/20 0.40

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
SCHEMBL27579062 0.78 ALDH1A1 (0.55) ALDH1A1HPGDMAPTHDAC1HDAC6
SCHEMBL9557521 0.76 ALDH1A1 (0.49) ALDH1A1HPGDMAPTHDAC1HDAC6
SCHEMBL2762507 0.75 LMNA (0.53) ALDH1A1HPGDHDAC1HDAC6LMNA
SCHEMBL18537438 0.74 ALDH1A1 (0.50) ALDH1A1HPGDMAPTMLYCDHDAC1
SCHEMBL9557549 0.73 ALDH1A1 (0.46) ALDH1A1HPGDMAPTHDAC1HDAC6
SCHEMBL9557537 0.73 MEN1 (0.45) ALDH1A1HPGDMAPTMLYCDCES1
Trifluoroacetic Acid SCHEMBL5614997 0.72 MLYCD (0.52) ALDH1A1HPGDMAPTMLYCDHDAC1
SCHEMBL9557709 0.72 ALDH1A1 (0.49) ALDH1A1HPGDMAPTMLYCDHDAC1
SCHEMBL3183842 0.72 ALDH1A1 (0.49) ALDH1A1HPGDMAPTHDAC1HDAC6
SCHEMBL9557674 0.72 ALDH1A1 (0.49) ALDH1A1HPGDMAPTMLYCDHDAC1

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-107848977-A Substituted aryl-and heteroarylcarboxylic acid hydrazides or salts thereof and their use for increasing stress tolerance in plants 拜耳农作物科学股份公司 2018-03-27 — — CN disclosed
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