SCHEMBL354326

SCHEMBL354326

CC(=O)c1cc(C(F)(F)F)nn1-c1ncccc1Cl

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.45
MEN1 O00255 1/20 0.45
ALDH1A1 P00352 1/20 0.45
MAPT P10636 1/20 0.45
KMT2A Q03164 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
PDE4B Q07343 1/20 0.40
TRPV1 Q8NER1 5/20 0.40
TRPA1 O75762 2/20 0.40
GRIN1 Q05586 1/20 0.39
GRIN2A Q12879 1/20 0.39
OPRL1 P41146 1/20 0.38
KLKB1 P03952 2/20 0.38
GPBAR1 Q8TDU6 1/20 0.37
PTGS1 P23219 1/20 0.37
PTGS2 P35354 1/20 0.37
RXRA P19793 1/20 0.36
NR1H2 P55055 1/20 0.36
NR1H3 Q13133 1/20 0.36
CARM1 Q86X55 1/20 0.36

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
SCHEMBL535347 0.89 KLKB1 (0.49) KDM4EMEN1ALDH1A1MAPTKMT2A
SCHEMBL114535 0.89 KDM4E (0.49) KDM4EMEN1ALDH1A1MAPTKMT2A
SCHEMBL30863652 0.89 KDM4E (0.49) KDM4EMEN1ALDH1A1MAPTKMT2A
SCHEMBL29488448 0.88 KDM4E (0.48) KDM4EMEN1ALDH1A1MAPTKMT2A
SCHEMBL15272015 0.88 KDM4E (0.48) KDM4EMEN1ALDH1A1MAPTKMT2A
Hydrochloric Acid SCHEMBL536232 0.88 KLKB1 (0.48) KDM4EMEN1ALDH1A1MAPTKMT2A
SCHEMBL1680138 0.86 ALDH1A1 (0.44) KDM4EMEN1ALDH1A1MAPTKMT2A
SCHEMBL21021015 0.86 KDM4E (0.46) KDM4EMEN1ALDH1A1MAPTKMT2A
SCHEMBL12911841 0.83 KDM4E (0.50) KDM4EMEN1ALDH1A1MAPTKMT2A
Sulfuric Acid SCHEMBL7059889 0.83 ALDH1A1 (0.41) KDM4EMEN1ALDH1A1MAPTKMT2A

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
EP-2064196-B1 3-AMINO-1,2-BENZISOTHIAZOLE COMPOUNDS FOR COMBATING ANIMAL PEST II BASF SE (DE) 2012-03-14 EP disclosed