SCHEMBL29558709

SCHEMBL29558709

O=[N+]([O-])c1cc(Cl)c(N=Nc2ccc(N(CCO)CCO)cc2Cl)c(Cl)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.42
MAPT P10636 7/20 0.42
MEN1 O00255 6/20 0.42
NPC1 O15118 5/20 0.42
TDP1 Q9NUW8 4/20 0.42
RAB9A P51151 4/20 0.42
MAPK1 P28482 3/20 0.42
NPSR1 Q6W5P4 3/20 0.42
HSP90AA1 P07900 1/20 0.42
RECQL P46063 1/20 0.42
ALDH1A1 P00352 8/20 0.42
TSHR P16473 1/20 0.42
POLB P06746 4/20 0.41
LMNA P02545 4/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
MMP14 P50281 1/20 0.41
TP53 P04637 1/20 0.38
ATM Q13315 1/20 0.38
GAA P10253 3/20 0.38

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
SCHEMBL5053748 1.00 KMT2A (0.42) KMT2AMAPTMEN1NPC1TDP1
SCHEMBL8947507 1.00 KMT2A (0.42) KMT2AMAPTMEN1NPC1TDP1
SCHEMBL12196189 0.92 ALDH1A1 (0.38) KMT2AMAPTMEN1NPC1TDP1
SCHEMBL11134297 0.92 ALDH1A1 (0.38) KMT2AMAPTMEN1NPC1TDP1
SCHEMBL12955863 0.92 ALDH1A1 (0.38) KMT2AMAPTMEN1NPC1TDP1
SCHEMBL30440423 0.90 ALDH1A1 (0.40) KMT2AMAPTMEN1NPC1TDP1
SCHEMBL11429772 0.86 MAPT (0.53) KMT2AMAPTMEN1NPC1TDP1
SCHEMBL29527780 0.86 MAPT (0.53) KMT2AMAPTMEN1NPC1TDP1
SCHEMBL11429778 0.86 MAPT (0.53) KMT2AMAPTMEN1NPC1TDP1
SCHEMBL11434702 0.86 MAPT (0.52) KMT2AMAPTMEN1NPC1TDP1

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
CN-111886297-B Solutions containing dyes 诺力昂化学品国际有限公司 2022-04-01 CN disclosed