SCHEMBL10409130

SCHEMBL10409130

CCCN(/C=C/c1ccc(OC)c([N+](=O)[O-])c1[N+](=O)[O-])CCC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 7/20 0.43
KMT2A Q03164 7/20 0.43
POLB P06746 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
KDM4E B2RXH2 1/20 0.38
CTDSP1 Q9GZU7 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
MAPT P10636 5/20 0.36
SMN1; SMN2 Q16637 4/20 0.36
ALDH1A1 P00352 3/20 0.36
NPC1 O15118 2/20 0.36
LMNA P02545 2/20 0.36
GAA P10253 2/20 0.36
HTT P42858 1/20 0.36
RAB9A P51151 1/20 0.36
CYP19A1 P11511 2/20 0.36
PTGS2 P35354 1/20 0.36
APP P05067 1/20 0.35
TLR9 Q9NR96 1/20 0.35
HPGD P15428 1/20 0.35

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
SCHEMBL9688781 1.00 MEN1 (0.43) MEN1KMT2APOLBL3MBTL1KDM4E
SCHEMBL9689658 0.81 KMT2A (0.49) MEN1KMT2APOLBL3MBTL1KDM4E
SCHEMBL10409069 0.81 KMT2A (0.49) MEN1KMT2APOLBL3MBTL1KDM4E
SCHEMBL10414316 0.77 TSHR (0.44) MEN1KMT2AL3MBTL1KDM4ETDP1
SCHEMBL7298558 0.77 TSHR (0.44) MEN1KMT2AL3MBTL1KDM4ETDP1
SCHEMBL5071942 0.73 MEN1 (0.56) MEN1KMT2APOLBL3MBTL1KDM4E
SCHEMBL29396391 0.72 TDP1 (0.62) MEN1KMT2APOLBL3MBTL1KDM4E
SCHEMBL1179747 0.72 TDP1 (0.62) MEN1KMT2APOLBL3MBTL1KDM4E
SCHEMBL5071088 0.69 TUBB1 (0.64) CYP19A1PTGS2TUBB4ATUBBTUBA3C
SCHEMBL9689630 0.69 KDM4E (0.40) MEN1KMT2APOLBL3MBTL1KDM4E

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-4958026-A HYPOTENSIVE AGENTS SCHERING AKTIENGESLLSCHAFT (DE) 1990-09-18 US disclosed