SCHEMBL9819345

SCHEMBL9819345

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

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.54
LMNA P02545 4/20 0.54
HTT P42858 4/20 0.54
MEN1 O00255 4/20 0.54
KMT2A Q03164 4/20 0.54
GAA P10253 4/20 0.54
SMN1; SMN2 Q16637 2/20 0.48
ALOX12 P18054 2/20 0.48
KCNMA1 Q12791 1/20 0.47
FLT1 P17948 1/20 0.45
FLT4 P35916 1/20 0.45
KDR P35968 1/20 0.45
ALDH1A1 P00352 2/20 0.45
EPAS1 Q99814 1/20 0.45
AKR1B1 P15121 1/20 0.44
AKR1C4 P17516 1/20 0.44
AKR1C3 P42330 1/20 0.44
AKR1C2 P52895 1/20 0.44
AKR1C1 Q04828 1/20 0.44
PKM P14618 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
SCHEMBL9818923 0.94 MAPT (0.47) MAPTLMNAHTTMEN1KMT2A
SCHEMBL9819070 0.94 KCNMA1 (0.50) MAPTLMNAHTTMEN1KMT2A
SCHEMBL9818807 0.88 APP (0.52) MAPTMEN1KMT2AKCNMA1ALDH1A1
SCHEMBL9819083 0.82 TRPV1 (0.54) MAPTLMNAHTTMEN1KMT2A
SCHEMBL9818887 0.81 IDO1 (0.47) MAPTMEN1KMT2AALDH1A1NPSR1
SCHEMBL9819190 0.80 AR (0.58) LMNAHTTSMN1; SMN2ALDH1A1MAPK1
SCHEMBL9819414 0.80 LMNA (0.45) MAPTLMNAHTTMEN1KMT2A
SCHEMBL9819360 0.79 RAPGEF3 (0.43) MAPTLMNAHTTMEN1KMT2A
SCHEMBL9819165 0.78 RHOC (0.49) LMNAMEN1KMT2AGAASMN1; SMN2
SCHEMBL9818823 0.78 RHOC (0.49) LMNAMEN1KMT2AGAASMN1; 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