SCHEMBL6177660

SCHEMBL6177660

CCS(=O)(=O)Nc1cc(-c2ncc(C(F)(F)F)cc2Cl)ccc1C#N

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.46
KDM4E B2RXH2 3/20 0.46
NPC1 O15118 4/20 0.42
RAB9A P51151 4/20 0.42
HTT P42858 3/20 0.42
MAPT P10636 1/20 0.42
SMN1; SMN2 Q16637 5/20 0.41
POLB P06746 3/20 0.41
TDP1 Q9NUW8 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
KIF11 P52732 2/20 0.39
GAA P10253 1/20 0.39
LMNA P02545 3/20 0.39
SLC22A12 Q96S37 2/20 0.39
MAPK1 P28482 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
JAK2 O60674 1/20 0.38

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
SCHEMBL6176380 0.80 ALDH1A1 (0.46) ALDH1A1KDM4ENPC1RAB9AHTT
SCHEMBL6174998 0.76 ALDH1A1 (0.54) ALDH1A1KDM4ENPC1RAB9AHTT
SCHEMBL6176491 0.76 ALDH1A1 (0.57) ALDH1A1KDM4ENPC1RAB9AHTT
SCHEMBL8545370 0.76 ALDH1A1 (0.55) ALDH1A1KDM4ENPC1RAB9AHTT
SCHEMBL8548969 0.75 ALDH1A1 (0.52) ALDH1A1KDM4ENPC1RAB9AHTT
SCHEMBL8546136 0.73 ALDH1A1 (0.46) ALDH1A1KDM4ENPC1RAB9AHTT
SCHEMBL6176381 0.73 ALDH1A1 (0.50) ALDH1A1KDM4ENPC1RAB9AHTT
SCHEMBL6178807 0.70 MEN1 (0.53) ALDH1A1KDM4ENPC1RAB9AHTT
SCHEMBL6177491 0.69 ALDH1A1 (0.48) ALDH1A1KDM4ENPC1RAB9AHTT
SCHEMBL8010576 0.69 ALDH1A1 (0.57) ALDH1A1KDM4ENPC1RAB9AHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0708756-B1 SUBSTITUTED 2-PHENYLPYRIDINES WITH HERBICIDAL ACTION BASF AG (DE) 2005-06-01 EP disclosed
US-5783522-A HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 1998-07-21 US disclosed
EP-0708756-A1 SUBSTITUTED 2-PHENYLPYRIDINES WITH HERBICIDAL ACTION BASF AKTIENGESELLSCHAFT (DE) 1996-05-01 EP disclosed
WO-1995002580-A2 SUBSTITUTED 2-PHENYLPYRIDINES WITH HERBICIDAL ACTION BASF AKTIENGESELLSCHAFT (DE) 1995-01-26 WO disclosed