SCHEMBL9819005

SCHEMBL9819005

N#CC(C(=O)Nc1ccc(F)cc1)C(=O)c1ccc(Cl)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.50
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
GAA P10253 1/20 0.49
ATM Q13315 1/20 0.49
GPR55 Q9Y2T6 1/20 0.49
MDM2 Q00987 3/20 0.48
KLK7 P49862 3/20 0.46
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA9 Q16790 1/20 0.45
POLB P06746 1/20 0.45
RAB9A P51151 1/20 0.45
MAPT P10636 2/20 0.44
APAF1 O14727 1/20 0.44
MAPK1 P28482 1/20 0.44
CASP3 P42574 1/20 0.44
SENP8 Q96LD8 1/20 0.44
SENP7 Q9BQF6 1/20 0.44

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
SCHEMBL9819133 1.00 TP53 (0.50) TP53MEN1KMT2AGAAATM
SCHEMBL9819129 0.94 KMT2A (0.54) TP53MEN1KMT2AGAAATM
SCHEMBL9818917 0.88 ALDH1A1 (0.48) MEN1KMT2AGAAATMGPR55
SCHEMBL9819381 0.88 ALDH1A1 (0.48) MEN1KMT2AGAAATMGPR55
SCHEMBL9819077 0.88 MEN1 (0.48) TP53MEN1KMT2AGAAATM
SCHEMBL10445473 0.87 KMT2A (0.65) TP53MEN1KMT2AGAAATM
SCHEMBL9819165 0.87 RHOC (0.49) MEN1KMT2AGAAATMGPR55
SCHEMBL9818823 0.87 RHOC (0.49) MEN1KMT2AGAAATMGPR55
SCHEMBL9819095 0.86 KMT2A (0.47) MEN1KMT2AGAAATMGPR55
SCHEMBL9818833 0.86 MEN1 (0.48) MEN1KMT2APOLBRAB9AMAPT

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