SCHEMBL8008019

SCHEMBL8008019

O=C(O)CCNc1ccc(-c2ncc(C(F)(F)F)cc2Cl)cc1[N+](=O)[O-]

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 13/20 0.58
MEN1 O00255 6/20 0.58
KMT2A Q03164 6/20 0.58
GAA P10253 6/20 0.54
SMN1; SMN2 Q16637 5/20 0.54
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C19 P33261 1/20 0.47
CASP3 P42574 1/20 0.47
SENP8 Q96LD8 1/20 0.47
SENP7 Q9BQF6 1/20 0.47
SENP6 Q9GZR1 1/20 0.47
TDP1 Q9NUW8 1/20 0.46
HTT P42858 4/20 0.46
LMNA P02545 3/20 0.46
FGFR4 P22455 1/20 0.42
ALOX12 P18054 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
SCHEMBL8007429 0.81 CYP1A2 (0.46) MAPTMEN1KMT2AGAASMN1; SMN2
SCHEMBL7997471 0.79 MAPT (0.50) MAPTMEN1KMT2AGAASMN1; SMN2
SCHEMBL8612145 0.79 MAPT (0.63) MAPTMEN1KMT2AGAASMN1; SMN2
SCHEMBL6177707 0.79 SMN1; SMN2 (0.51) MAPTMEN1KMT2AGAASMN1; SMN2
SCHEMBL6967259 0.78 FGFR4 (0.48) MAPTMEN1KMT2AGAASMN1; SMN2
SCHEMBL6176987 0.77 FGFR4 (0.49) MAPTMEN1KMT2AGAASMN1; SMN2
SCHEMBL8008037 0.76 SMN1; SMN2 (0.54) MAPTMEN1KMT2AGAASMN1; SMN2
SCHEMBL8674019 0.73 GAA (0.42) MAPTMEN1KMT2AGAASMN1; SMN2
SCHEMBL6176381 0.73 ALDH1A1 (0.50) MAPTMEN1KMT2AGAASMN1; SMN2
SCHEMBL9034789 0.73 ALDH1A1 (0.63) MAPTMEN1KMT2AGAASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6165941-A Substituted 2-phenylpyridines BASF AKTIENGESELLSCHAFT (DE) 2000-12-26 US disclosed
EP-0708769-A1 SUBSTITUTED 2-FUSED PHENYLPYRIDINES WITH HERBICIDAL ACTIVITY BASF AKTIENGESELLSCHAFT (DE) 1996-05-01 EP disclosed
WO-1995002590-A2 SUBSTITUTED 2-FUSED PHENYLPYRIDINES WITH HERBICIDAL ACTIVITIES BASF AKTIENGESELLSCHAFT (DE) 1995-01-26 WO disclosed