SCHEMBL6467121

SCHEMBL6467121

CCCCCCCCCCCCCCCCCC[NH+](CCCCCCCCCCCCCCCCCC)c1ccc([N+](=O)[O-])cc1.Oc1ccccc1[B-](c1c(F)c(F)c(F)c(F)c1F)(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.34
MGLL Q99685 2/20 0.34
KCNH2 Q12809 1/20 0.33
MAPT P10636 3/20 0.32
LMNA P02545 2/20 0.32
HTT P42858 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
CYP19A1 P11511 2/20 0.31
HDAC3 O15379 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC2 Q92769 1/20 0.31
POLB P06746 1/20 0.31

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
SCHEMBL3980338 0.87 KCNH2 (0.39) ALDH1A1MGLLKCNH2MAPTLMNA
SCHEMBL5655348 0.86 BID (0.31) ALDH1A1MGLLMAPTHTTMEN1
SCHEMBL30240774 0.86 BID (0.31) ALDH1A1MGLLMAPTHTTMEN1
SCHEMBL5658031 0.82
SCHEMBL6462737 0.81 NAAA (0.32) ALDH1A1MAPTHTTMEN1KMT2A
SCHEMBL1276666 0.78 MEN1 (0.35) ALDH1A1MAPTHTTMEN1KMT2A
SCHEMBL5872296 0.78 MEN1 (0.33) ALDH1A1MAPTHTTMEN1KMT2A
SCHEMBL5653811 0.78 MEN1 (0.33) ALDH1A1MAPTHTTMEN1KMT2A
Dymanthine SCHEMBL1276492 0.78 DNM1 (0.40) ALDH1A1MAPTHTTMEN1KMT2A
SCHEMBL5656345 0.78 MEN1 (0.33) ALDH1A1MAPTHTTMEN1KMT2A

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-6872844-B2 Metal complexes containing acetylenic ligands, polymerization catalysts and addition polymerization process THE DOW CHEMICAL COMPANY (US) 2005-03-29 US disclosed