SCHEMBL16883313

SCHEMBL16883313

CNc1cccc(NC(=O)c2cc(N=[N+]=[N-])cc(C(C)=O)c2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 6/20 0.46
▸ MEN1 O00255 5/20 0.46
▸ MAPK1 P28482 2/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ POLB P06746 2/20 0.44
▸ TOP1 P11387 2/20 0.43
▸ TOP2A P11388 1/20 0.43
▸ TOP2B Q02880 1/20 0.43
▸ KCNK3 O14649 2/20 0.43
▸ KCNK9 Q9NPC2 2/20 0.43
▸ RAB9A P51151 3/20 0.43
▸ ALDH1A1 P00352 3/20 0.43
▸ NPC1 O15118 2/20 0.43
▸ F2R P25116 1/20 0.43
▸ KCNH2 Q12809 1/20 0.43
▸ RXFP1 Q9HBX9 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ NOX1 Q9Y5S8 1/20 0.42
▸ HPGD P15428 1/20 0.41

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
SCHEMBL16883317 0.98 KMT2A (0.48) KMT2AMEN1MAPK1L3MBTL1POLB
SCHEMBL24193768 0.87 KMT2A (0.57) KMT2AMEN1MAPK1L3MBTL1POLB
SCHEMBL12383062 0.84 KMT2A (0.58) KMT2AMEN1MAPK1L3MBTL1POLB
SCHEMBL16883319 0.82 F2R (0.51) KMT2AMEN1MAPK1POLBKCNK3
SCHEMBL13256343 0.81 KMT2A (0.54) KMT2AMEN1MAPK1L3MBTL1POLB
SCHEMBL13881267 0.81 KMT2A (0.57) KMT2AMEN1MAPK1L3MBTL1POLB
SCHEMBL1630322 0.81 KMT2A (0.63) KMT2AMEN1MAPK1L3MBTL1POLB
SCHEMBL16883315 0.81 F2R (0.55) KMT2AMEN1MAPK1POLBKCNK3
SCHEMBL16883318 0.80 HDAC2 (0.53) KMT2AMEN1KCNK3KCNK9NOX1
SCHEMBL13986876 0.78 KMT2A (0.68) KMT2AMEN1POLBTOP1KCNK3

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-9328199-B2 Cross-linked aramid UNIVERSIDAD DE BURGOS (ES) 2016-05-03 — — US disclosed
US-20150191570-A1 CROSS-LINKED ARAMID UNIVERSIDAD DE BURGOS (ES) 2015-07-09 — — US disclosed
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