SCHEMBL6176946

SCHEMBL6176946

CC(NS(=O)(=O)c1cc(-c2ncc(C(F)(F)F)cc2Cl)ccc1Cl)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.42
ALDH1A1 P00352 5/20 0.42
MAPK1 P28482 1/20 0.42
KDM4E B2RXH2 3/20 0.42
KMT2A Q03164 2/20 0.42
POLB P06746 2/20 0.41
LMNA P02545 4/20 0.41
HTT P42858 3/20 0.41
ALOX5AP P20292 1/20 0.40
FEN1 P39748 1/20 0.40
MAPT P10636 2/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
PIK3CD O00329 1/20 0.40
PIK3CA P42336 1/20 0.40
PIK3CB P42338 1/20 0.40
PIK3CG P48736 1/20 0.40
ADAMTS4 O75173 1/20 0.40
MEN1 O00255 1/20 0.40
TDP1 Q9NUW8 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
SCHEMBL6177491 0.82 ALDH1A1 (0.48) SMN1; SMN2ALDH1A1MAPK1KDM4EKMT2A
SCHEMBL8674019 0.80 GAA (0.42) SMN1; SMN2ALDH1A1KDM4EKMT2APOLB
SCHEMBL8674018 0.78 MEN1 (0.48) SMN1; SMN2ALDH1A1MAPK1KDM4EKMT2A
SCHEMBL6176079 0.78 ALDH1A1 (0.52) SMN1; SMN2ALDH1A1MAPK1KDM4EKMT2A
SCHEMBL6175116 0.77 ALDH1A1 (0.55) SMN1; SMN2ALDH1A1MAPK1KDM4EKMT2A
SCHEMBL6177968 0.76 ALDH1A1 (0.53) SMN1; SMN2ALDH1A1MAPK1KDM4EKMT2A
SCHEMBL27875188 0.76 ALDH1A1 (0.55) SMN1; SMN2ALDH1A1KDM4EKMT2APOLB
SCHEMBL6177104 0.73 MCL1 (0.45) SMN1; SMN2ALDH1A1MAPK1KDM4EKMT2A
SCHEMBL8673378 0.73 MRGPRX4 (0.46) SMN1; SMN2ALDH1A1MAPK1KDM4EKMT2A
SCHEMBL6180793 0.73 MRGPRX4 (0.46) SMN1; SMN2ALDH1A1MAPK1KDM4EKMT2A

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
CN-1127504-A Substituted 2-phenylpyridines with herbicidal action BASF AG (DE) 1996-07-24 CN 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