SCHEMBL9819033

SCHEMBL9819033

N#CC(C(=O)Nc1ccc(Cl)cc1)C(=O)c1cccc(Cl)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
GAA P10253 2/20 0.50
ATM Q13315 1/20 0.50
GPR55 Q9Y2T6 1/20 0.50
IDO1 P14902 3/20 0.48
KCNQ3 O43525 2/20 0.44
KCNQ2 O43526 2/20 0.44
KCNE1 P15382 2/20 0.44
KCNQ1 P51787 2/20 0.44
SMN1; SMN2 Q16637 3/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 1/20 0.43
MAPT P10636 2/20 0.43
HTT P42858 2/20 0.43
SLC6A2 P23975 2/20 0.43
KCNQ5 Q9NR82 1/20 0.43
CHRNA1 P02708 1/20 0.43
CHRNG P07510 1/20 0.43
ITGA5 P08648 1/20 0.43

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
SCHEMBL9818991 0.88 IDO1 (0.49) MEN1KMT2AIDO1SMN1; SMN2NPC1
SCHEMBL10445473 0.88 KMT2A (0.65) MEN1KMT2AGAAATMGPR55
SCHEMBL9818885 0.87 MEN1 (0.46) MEN1KMT2AGAASMN1; SMN2NPC1
SCHEMBL9819129 0.86 KMT2A (0.54) MEN1KMT2AGAAATMGPR55
SCHEMBL9818858 0.86 GAA (0.46) MEN1KMT2AGAAATMGPR55
SCHEMBL9818792 0.84 MEN1 (0.49) MEN1KMT2AGAAATMGPR55
SCHEMBL9819133 0.81 TP53 (0.50) MEN1KMT2AGAAATMGPR55
SCHEMBL9819005 0.81 TP53 (0.50) MEN1KMT2AGAAATMGPR55
SCHEMBL9819381 0.80 ALDH1A1 (0.48) MEN1KMT2AGAAATMGPR55
SCHEMBL9818917 0.80 ALDH1A1 (0.48) MEN1KMT2AGAAATMGPR55

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