SCHEMBL16883315

SCHEMBL16883315

CNc1cccc(NC(=O)c2ccc(C(C)=O)cc2N=[N+]=[N-])c1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ F2R P25116 1/20 0.55
▸ ALDH1A1 P00352 5/20 0.43
▸ KMT2A Q03164 3/20 0.43
▸ MEN1 O00255 2/20 0.43
▸ RAB9A P51151 4/20 0.43
▸ HPGD P15428 2/20 0.43
▸ POLB P06746 1/20 0.42
▸ NPC1 O15118 2/20 0.41
▸ TP53 P04637 1/20 0.41
▸ TERT O14746 1/20 0.41
▸ NR1H4 Q96RI1 1/20 0.41
▸ MAPK1 P28482 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ CREBBP Q92793 1/20 0.40
▸ KCNK3 O14649 1/20 0.40
▸ KCNK9 Q9NPC2 1/20 0.40
▸ RXFP1 Q9HBX9 1/20 0.39

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
SCHEMBL16883319 0.96 F2R (0.51) F2RALDH1A1KMT2AMEN1RAB9A
SCHEMBL16883314 0.90 F2R (0.46) F2RALDH1A1KMT2AMEN1RAB9A
SCHEMBL16883313 0.81 KMT2A (0.46) F2RALDH1A1KMT2AMEN1RAB9A
SCHEMBL16883317 0.79 KMT2A (0.48) ALDH1A1KMT2AMEN1RAB9APOLB
SCHEMBL13986876 0.76 KMT2A (0.68) ALDH1A1KMT2AMEN1RAB9AHPGD
SCHEMBL13256345 0.76 TOP1 (0.55) ALDH1A1KMT2AMEN1RAB9AHPGD
SCHEMBL24193768 0.73 KMT2A (0.57) ALDH1A1KMT2AMEN1RAB9APOLB
SCHEMBL1630322 0.73 KMT2A (0.63) ALDH1A1KMT2AMEN1RAB9APOLB
SCHEMBL15290201 0.71 F2R (0.51) F2RALDH1A1KMT2AMEN1RAB9A
SCHEMBL12383062 0.71 KMT2A (0.58) ALDH1A1KMT2AMEN1RAB9AHPGD

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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