SCHEMBL4382686

SCHEMBL4382686

O=C(/C=C/c1cccc([N+](=O)[O-])c1)c1cc2cc(Br)ccc2oc1=O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 4/20 0.53
CCR6 P51684 1/20 0.53
MAOB P27338 3/20 0.53
MAPT P10636 3/20 0.53
POLB P06746 2/20 0.53
USP2 O75604 1/20 0.53
RECQL P46063 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
MAOA P21397 2/20 0.51
CA12 O43570 2/20 0.51
CA9 Q16790 2/20 0.51
TRPV1 Q8NER1 1/20 0.50
GRIN1 Q05586 1/20 0.49
GRIN2A Q12879 1/20 0.49
GRIN2B Q13224 1/20 0.49
GRIN2C Q14957 1/20 0.49
GPR35 Q9HC97 1/20 0.49
ALDH1A1 P00352 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
PARP1 P09874 1/20 0.48

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
SCHEMBL4382687 1.00 HSP90AA1 (0.53) HSP90AA1CCR6MAOBMAPTPOLB
SCHEMBL28244682 0.87 MAOB (0.58) HSP90AA1CCR6MAOBMAPTPOLB
SCHEMBL28244680 0.87 MAOB (0.58) HSP90AA1CCR6MAOBMAPTPOLB
SCHEMBL31294094 0.87 GRIN1 (0.58) HSP90AA1MAOBMAPTPOLBUSP2
SCHEMBL4382614 0.81 GRIN1 (0.62) MAOBMAPTUSP2NPSR1MAOA
SCHEMBL4382617 0.81 GRIN1 (0.62) MAOBMAPTUSP2NPSR1MAOA
SCHEMBL28460281 0.78 MAOB (0.60) HSP90AA1MAOBMAPTPOLBRECQL
SCHEMBL1367343 0.77 MAOA (0.57) MAOBMAPTPOLBUSP2RECQL
SCHEMBL1366495 0.77 MAOA (0.57) MAOBMAPTPOLBUSP2RECQL
SCHEMBL1366493 0.77 MAOA (0.57) MAOBMAPTPOLBUSP2RECQL

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-7629400-B2 Image making medium HYMAN SYDNEY 2009-12-08 US disclosed
US-20030035917-A1 Image making medium HYMAN SYDNEY (US) 2003-02-20 US disclosed