SCHEMBL11258486

SCHEMBL11258486

NC(Cc1ccccc1COC(=O)c1ccc([N+](=O)[O-])cc1)C(=O)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.47
MEN1 O00255 4/20 0.47
ALOX5 P09917 1/20 0.47
UBE2B P63146 1/20 0.45
RAB9A P51151 3/20 0.44
ALDH1A1 P00352 2/20 0.44
ADRB2 P07550 2/20 0.43
ADRB1 P08588 2/20 0.43
ADRB3 P13945 2/20 0.43
NPC1 O15118 2/20 0.43
MAPT P10636 2/20 0.43
KDM4E B2RXH2 1/20 0.43
L3MBTL1 Q9Y468 3/20 0.42
ATM Q13315 1/20 0.42
PKM P14618 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CES2 O00748 1/20 0.40
CES1 P23141 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
SCHEMBL11436433 0.84 CES1 (0.45) RAB9AALDH1A1NPC1SMN1; SMN2CES2
SCHEMBL11453441 0.80 ALDH1A1 (0.46) KMT2AMEN1RAB9AALDH1A1NPC1
SCHEMBL8831105 0.78 MAOB (0.54) KMT2AMEN1ALOX5UBE2BRAB9A
SCHEMBL11258477 0.77 ALOX5 (0.51) KMT2AMEN1ALOX5UBE2BRAB9A
SCHEMBL11258457 0.74 MEN1 (0.65) KMT2AMEN1RAB9AALDH1A1NPC1
SCHEMBL523154 0.74 KMT2A (0.67) KMT2AMEN1ALOX5RAB9AALDH1A1
SCHEMBL22822228 0.73 MEN1 (0.47) KMT2AMEN1ALOX5UBE2BRAB9A
Alanine SCHEMBL27705533 0.73 ALDH1A1 (0.57) KMT2AMEN1ALOX5UBE2BRAB9A
SCHEMBL8358751 0.71 KMT2A (0.67) KMT2AMEN1ALOX5RAB9AALDH1A1
SCHEMBL8813726 0.70 KMT2A (0.53) KMT2AMEN1ALOX5UBE2BRAB9A

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