SCHEMBL9819225

SCHEMBL9819225

Cc1cc([N+](=O)[O-])ccc1NC(=O)CC#N

nearest known ligand 0.63

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.63
L3MBTL1 Q9Y468 1/20 0.63
MAPT P10636 5/20 0.60
KMT2A Q03164 4/20 0.56
LMNA P02545 3/20 0.56
HTT P42858 3/20 0.55
MEN1 O00255 3/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
NPSR1 Q6W5P4 1/20 0.53
HPGD P15428 1/20 0.53
CCR6 P51684 1/20 0.53
POLB P06746 1/20 0.53
MAPK1 P28482 1/20 0.52
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
TAS1R3 Q7RTX0 1/20 0.51
TAS1R1 Q7RTX1 1/20 0.51
TAS1R2 Q8TE23 1/20 0.51

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
SCHEMBL9818959 0.84 MAPT (0.62) ALDH1A1MAPTKMT2ALMNAHTT
SCHEMBL14192526 0.83 ALDH1A1 (0.73) ALDH1A1L3MBTL1MAPTKMT2ALMNA
SCHEMBL14862701 0.82 LMNA (0.60) ALDH1A1L3MBTL1MAPTKMT2ALMNA
SCHEMBL30168150 0.82 ALDH1A1 (0.67) ALDH1A1L3MBTL1MAPTKMT2ALMNA
SCHEMBL10674588 0.82 ALDH1A1 (0.67) ALDH1A1L3MBTL1MAPTKMT2ALMNA
SCHEMBL14202810 0.82 ALDH1A1 (0.67) ALDH1A1L3MBTL1MAPTKMT2ALMNA
SCHEMBL11144382 0.80 KMT2A (0.70) ALDH1A1L3MBTL1MAPTKMT2ALMNA
SCHEMBL11184067 0.80 GAA (0.54) ALDH1A1MAPTKMT2ALMNAHTT
SCHEMBL2072200 0.80 ALDH1A1 (0.64) ALDH1A1L3MBTL1MAPTKMT2ALMNA
SCHEMBL4490833 0.79 ALDH1A1 (0.68) ALDH1A1L3MBTL1MAPTKMT2ALMNA

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