SCHEMBL9864447

SCHEMBL9864447

CNC(=C[N+](=O)[O-])NC(C)c1cnc(Cl)c(Cl)c1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.34
LMNA P02545 4/20 0.34
MAPT P10636 3/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
IDH1 O75874 1/20 0.32
SMN1; SMN2 Q16637 3/20 0.31
HTT P42858 2/20 0.31
TP53 P04637 1/20 0.30
HPGD P15428 1/20 0.30
MAPK1 P28482 1/20 0.30
NPC1 O15118 1/20 0.30
ITGA4 P13612 1/20 0.30
PKM P14618 1/20 0.30
RAB9A P51151 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
GPR35 Q9HC97 1/20 0.30
RCE1 Q9Y256 1/20 0.30
GPR55 Q9Y2T6 1/20 0.30

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
SCHEMBL9864527 0.85 QPCTL (0.35) ALDH1A1LMNAMAPTMEN1KMT2A
SCHEMBL8631374 0.81 MAPK1 (0.39) ALDH1A1LMNAMAPTMEN1KMT2A
SCHEMBL8631371 0.81 MAPK1 (0.39) ALDH1A1LMNAMAPTMEN1KMT2A
SCHEMBL1747890 0.80 ALDH1A1 (0.32) ALDH1A1LMNAMAPTMEN1KMT2A
SCHEMBL1747889 0.80 ALDH1A1 (0.32) ALDH1A1LMNAMAPTMEN1KMT2A
SCHEMBL1747888 0.80 ALDH1A1 (0.32) ALDH1A1LMNAMAPTMEN1KMT2A
SCHEMBL9865020 0.72 NAMPT (0.44) KMT2A
SCHEMBL1747867 0.72 KMT2A (0.33) ALDH1A1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL1747865 0.72 KMT2A (0.33) ALDH1A1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL1747866 0.72 KMT2A (0.33) ALDH1A1MAPTMEN1KMT2ASMN1; 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-5023259-A Pesticides, insecticides CIBA-GEIGY CORPORATION (US) 1991-06-11 US disclosed