SCHEMBL9524094

SCHEMBL9524094

O=Cc1ccc(/C=C/C(=O)Oc2ccc([N+](=O)[O-])cc2)cc1

nearest known ligand 0.77

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.66
MAOB P27338 7/20 0.56
MAOA P21397 4/20 0.56
BCHE P06276 1/20 0.51
MEN1 O00255 3/20 0.50
PTGS2 P35354 3/20 0.49
PTGS1 P23219 1/20 0.49
CYP1B1 Q16678 1/20 0.48
GAA P10253 1/20 0.48
APP P05067 1/20 0.47
NPC1 O15118 1/20 0.47
LMNA P02545 1/20 0.47
RAB9A P51151 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47

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
SCHEMBL9524097 1.00 KMT2A (0.66) KMT2AMAOBMAOABCHEMEN1
SCHEMBL9523424 0.94 MAOB (0.61) KMT2AMAOBMAOABCHEMEN1
SCHEMBL17355377 0.94 MAOB (0.61) KMT2AMAOBMAOABCHEMEN1
SCHEMBL5315888 0.94 MAOB (0.61) KMT2AMAOBMAOABCHEMEN1
SCHEMBL15367534 0.94 MAOB (0.61) KMT2AMAOBMAOABCHEMEN1
SCHEMBL9522518 0.87 MAOB (0.66) KMT2AMAOBMAOABCHEMEN1
SCHEMBL9478343 0.87 MAOB (0.73) KMT2AMAOBMAOAMEN1PTGS2
SCHEMBL10744603 0.87 KMT2A (0.64) KMT2AMAOBMAOABCHEMEN1
SCHEMBL10744598 0.87 KMT2A (0.64) KMT2AMAOBMAOABCHEMEN1
SCHEMBL16024199 0.87 MAOB (0.61) KMT2AMAOBMAOABCHECYP1B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0354583-B1 DC-88A derivatives KYOWA HAKKO KOGYO KK (JP) 1993-11-03 EP disclosed
US-5117006-A DC-88A DERIVATIVES USEFUL AS ANTITUMOR AGENTS KYOWA HAKKO KOGYO CO., LTD. (JP) 1992-05-26 US disclosed
US-5084468-A Antitumor agents KYOWA HAKKO KOGYO CO., LTD. (JP) 1992-01-28 US disclosed
EP-0354583-A1 DC-88A derivatives KYOWA HAKKO KOGYO CO., LTD. (JP) 1990-02-14 EP disclosed