SCHEMBL16883317

SCHEMBL16883317

CNc1cccc(NC(=O)c2cccc(C(=O)Nc3cccc(NC(=O)c4cc(N=[N+]=[N-])cc(C(C)=O)c4)c3)c2)c1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 10/20 0.48
▸ POLB P06746 3/20 0.48
▸ MEN1 O00255 8/20 0.47
▸ NPC1 O15118 4/20 0.47
▸ RAB9A P51151 4/20 0.47
▸ ALDH1A1 P00352 3/20 0.47
▸ MAPK1 P28482 2/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ KCNK3 O14649 3/20 0.47
▸ KCNK9 Q9NPC2 3/20 0.47
▸ RXFP1 Q9HBX9 2/20 0.47
▸ KCNH2 Q12809 1/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ NPSR1 Q6W5P4 1/20 0.46
▸ TSHR P16473 1/20 0.43

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
SCHEMBL16883313 0.98 KMT2A (0.46) KMT2APOLBMEN1NPC1RAB9A
SCHEMBL24193768 0.84 KMT2A (0.57) KMT2APOLBMEN1NPC1RAB9A
SCHEMBL1630322 0.84 KMT2A (0.63) KMT2APOLBMEN1NPC1RAB9A
SCHEMBL16883319 0.84 F2R (0.51) KMT2APOLBMEN1NPC1RAB9A
SCHEMBL12383062 0.82 KMT2A (0.58) KMT2APOLBMEN1NPC1RAB9A
SCHEMBL13657050 0.81 KMT2A (0.60) KMT2APOLBMEN1NPC1RAB9A
SCHEMBL17013407 0.80 KCNK3 (0.69) KMT2APOLBMEN1L3MBTL1KCNK3
SCHEMBL13256343 0.79 KMT2A (0.54) KMT2APOLBMEN1NPC1RAB9A
SCHEMBL13881267 0.79 KMT2A (0.57) KMT2APOLBMEN1NPC1RAB9A
SCHEMBL16883315 0.79 F2R (0.55) KMT2APOLBMEN1NPC1RAB9A

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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