SCHEMBL11301640

SCHEMBL11301640

CCC(Cl)(Oc1ccccc1)C(=O)Nc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.47
HPGD P15428 2/20 0.47
MEN1 O00255 1/20 0.47
MAPT P10636 1/20 0.47
MAPK1 P28482 1/20 0.47
HTT P42858 1/20 0.47
KMT2A Q03164 1/20 0.47
PPARA Q07869 2/20 0.43
PDK1 Q15118 3/20 0.43
PDK2 Q15119 3/20 0.43
PDK3 Q15120 3/20 0.43
PDK4 Q16654 3/20 0.43
RAB9A P51151 3/20 0.42
NPC1 O15118 2/20 0.42
CRHBP P24387 1/20 0.42
CRHR2 Q13324 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42

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
SCHEMBL1701247 0.84 MAPT (0.50) ALDH1A1HPGDMEN1MAPTMAPK1
SCHEMBL6763556 0.83 ALDH1A1 (0.41) ALDH1A1MEN1MAPTKMT2APPARA
SCHEMBL3949484 0.80 PPARG (0.43) MEN1MAPTKMT2APPARACYP1A2
Dimethylamine SCHEMBL29195865 0.80 PPARG (0.40) ALDH1A1HPGDMEN1MAPTHTT
SCHEMBL10871570 0.77 MAPT (0.56) ALDH1A1HPGDMEN1MAPTMAPK1
Potassium Ion SCHEMBL30804408 0.76 PPARG (0.37) ALDH1A1HPGDMEN1MAPTKMT2A
SCHEMBL8042031 0.76 PDK1 (0.46) ALDH1A1HPGDMEN1MAPTMAPK1
SCHEMBL11170300 0.76 MAPT (0.54) ALDH1A1HPGDMEN1MAPTMAPK1
SCHEMBL8042023 0.73 KMT2A (0.51) ALDH1A1HPGDMEN1MAPTMAPK1
SCHEMBL12853949 0.72 SMN1; SMN2 (0.52) ALDH1A1MEN1MAPTHTTKMT2A

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
JP-56015254-A None JP disclosed
JP-S5615254-A CHLOROACETANILIDE DERIVATIVE AND HERBICIDE CONTAINING THE SAME KUMIAI CHEM IND CO LTD 1981-02-14 JP disclosed