SCHEMBL8546136

SCHEMBL8546136

CC(=O)COc1cc(-c2ncc(C(F)(F)F)cc2Cl)ccc1C#N

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.46
KDM4E B2RXH2 3/20 0.46
SMN1; SMN2 Q16637 4/20 0.41
POLB P06746 2/20 0.41
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
NPC1 O15118 4/20 0.40
RAB9A P51151 4/20 0.40
MAPT P10636 2/20 0.40
MAPK1 P28482 2/20 0.40
HTT P42858 1/20 0.40
AR P10275 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.39
RXFP1 Q9HBX9 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
HPGD P15428 1/20 0.38
PKM P14618 1/20 0.38
RECQL P46063 1/20 0.37

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
SCHEMBL8549990 0.86 NPC1 (0.46) ALDH1A1KDM4ESMN1; SMN2POLBMEN1
SCHEMBL8548969 0.84 ALDH1A1 (0.52) ALDH1A1KDM4ESMN1; SMN2POLBMEN1
SCHEMBL31413936 0.79 PTGDR2 (0.48) ALDH1A1KDM4EARPTGDR2HPGD
SCHEMBL8545370 0.78 ALDH1A1 (0.55) ALDH1A1KDM4ESMN1; SMN2POLBMEN1
SCHEMBL6179883 0.77 LMNA (0.48) ALDH1A1KDM4ESMN1; SMN2POLBMEN1
SCHEMBL6176491 0.76 ALDH1A1 (0.57) ALDH1A1KDM4ESMN1; SMN2POLBMEN1
SCHEMBL6176034 0.74 ALDH1A1 (0.48) ALDH1A1KDM4ESMN1; SMN2POLBMEN1
SCHEMBL6176380 0.73 ALDH1A1 (0.46) ALDH1A1KDM4ESMN1; SMN2POLBKMT2A
SCHEMBL6177660 0.73 ALDH1A1 (0.46) ALDH1A1KDM4ESMN1; SMN2POLBMEN1
SCHEMBL6176381 0.73 ALDH1A1 (0.50) ALDH1A1KDM4ESMN1; SMN2POLBMEN1

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
EP-0802903-B1 SUBSTITUTED 2-PHENYLPYRIDINES AS HERBICIDES BASF AG (DE) 1998-09-09 EP disclosed
US-5747422-A HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 1998-05-05 US disclosed