SCHEMBL9819101

SCHEMBL9819101

N#CC(C(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1)C(=O)c1ccc(Br)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.41
MEN1 O00255 7/20 0.40
KMT2A Q03164 7/20 0.40
LMNA P02545 4/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
NPSR1 Q6W5P4 2/20 0.40
ALDH1A1 P00352 5/20 0.39
GAA P10253 2/20 0.39
HPGD P15428 1/20 0.39
CASP3 P42574 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
HTT P42858 3/20 0.38
CYP1A2 P05177 2/20 0.38
CYP3A4 P08684 2/20 0.38
CYP2C9 P11712 2/20 0.38
CYP2C19 P33261 2/20 0.38
MAPK1 P28482 2/20 0.38
CYP2D6 P10635 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
SCHEMBL9819352 0.91 TSHR (0.43) MAPTMEN1KMT2ALMNASMN1; SMN2
SCHEMBL9819414 0.87 LMNA (0.45) MAPTMEN1KMT2ALMNASMN1; SMN2
SCHEMBL9819097 0.83 P2RX1 (0.50) MAPTMEN1KMT2ALMNASMN1; SMN2
SCHEMBL9819202 0.80 KMT2A (0.46) MAPTMEN1KMT2ALMNASMN1; SMN2
SCHEMBL9819381 0.79 ALDH1A1 (0.48) MAPTMEN1KMT2ALMNASMN1; SMN2
SCHEMBL9818917 0.79 ALDH1A1 (0.48) MAPTMEN1KMT2ALMNASMN1; SMN2
SCHEMBL9819190 0.78 AR (0.58) LMNASMN1; SMN2ALDH1A1HTTCYP1A2
SCHEMBL9819106 0.76 MEN1 (0.52) MAPTMEN1KMT2ALMNAALDH1A1
SCHEMBL9819100 0.75 MEN1 (0.48) MAPTMEN1KMT2ALMNASMN1; SMN2
SCHEMBL9818833 0.75 MEN1 (0.48) MAPTMEN1KMT2ALMNASMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5034410-A Nitrile and oxo containing amides or thioamides SYNTEX (U.S.A.) INC. (US) 1991-07-23 US disclosed