SCHEMBL11258477

SCHEMBL11258477

NC(CC(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1COC(=O)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.51
MEN1 O00255 5/20 0.48
KMT2A Q03164 5/20 0.48
ALDH1A1 P00352 3/20 0.46
MAPT P10636 3/20 0.46
KDM4E B2RXH2 1/20 0.46
ADRB2 P07550 2/20 0.44
ADRB1 P08588 2/20 0.44
ADRB3 P13945 2/20 0.44
UBE2B P63146 1/20 0.44
RAB9A P51151 2/20 0.43
NPC1 O15118 1/20 0.41
MAPK1 P28482 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
GSK3B P49841 1/20 0.41
ATM Q13315 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
HSD11B1 P28845 1/20 0.40

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
SCHEMBL11436429 0.84 GSK3B (0.46) ALOX5MEN1KMT2AALDH1A1MAPT
SCHEMBL11453442 0.81 ALDH1A1 (0.44) ALOX5MEN1KMT2AALDH1A1MAPT
SCHEMBL11258486 0.77 KMT2A (0.47) ALOX5MEN1KMT2AALDH1A1MAPT
SCHEMBL8831105 0.76 MAOB (0.54) ALOX5MEN1KMT2AALDH1A1MAPT
SCHEMBL523154 0.72 KMT2A (0.67) ALOX5MEN1KMT2AALDH1A1MAPT
Alanine SCHEMBL27705533 0.71 ALDH1A1 (0.57) ALOX5MEN1KMT2AALDH1A1MAPT
SCHEMBL16398970 0.71 ALOX5 (0.92) ALOX5MEN1KMT2AALDH1A1MAPT
SCHEMBL11258457 0.70 MEN1 (0.65) MEN1KMT2AALDH1A1MAPTKDM4E
SCHEMBL22822228 0.70 MEN1 (0.47) ALOX5MEN1KMT2AMAPTUBE2B
SCHEMBL8358751 0.69 KMT2A (0.67) ALOX5MEN1KMT2AALDH1A1RAB9A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4337256-A ANTIINFLAMMATORY AGENTS; ANTIAGGLOMERANTS; ENZYME INHIBITORS; ANTIULCER AGENTS TEIKOKU HORMONE MANUFACTURING CO., LTD. (JP) 1982-06-29 US disclosed
EP-0013411-A1 Isoquinoline derivatives, process for their preparation and pharmaceutical compositions containing them TEIKOKU HORMONE MFG. CO., LTD. (JP) 1980-07-23 EP disclosed