SCHEMBL16883314

SCHEMBL16883314

CNc1ccc(NC(=O)c2ccc(C(C)=O)cc2N=[N+]=[N-])cc1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ F2R P25116 1/20 0.46
▸ RAB9A P51151 7/20 0.43
▸ NPC1 O15118 6/20 0.43
▸ SMN1; SMN2 Q16637 4/20 0.43
▸ MAPT P10636 3/20 0.43
▸ KMT2A Q03164 4/20 0.41
▸ POLB P06746 1/20 0.41
▸ AHR P35869 1/20 0.38
▸ NOX1 Q9Y5S8 1/20 0.38
▸ ALDH1A1 P00352 3/20 0.37
▸ TP53 P04637 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ HPGD P15428 2/20 0.36

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
SCHEMBL16883315 0.90 F2R (0.55) F2RRAB9ANPC1SMN1; SMN2KMT2A
SCHEMBL16883319 0.86 F2R (0.51) F2RRAB9ANPC1SMN1; SMN2MAPT
SCHEMBL2622523 0.73 RAB9A (0.46) RAB9ANPC1SMN1; SMN2MAPTKMT2A
SCHEMBL8978050 0.71 KMT2A (0.61) RAB9ANPC1SMN1; SMN2MAPTKMT2A
SCHEMBL8978184 0.71 KMT2A (0.61) RAB9ANPC1SMN1; SMN2MAPTKMT2A
SCHEMBL28789552 0.71 P2RX1 (0.51) F2RRAB9ANPC1SMN1; SMN2MAPT
SCHEMBL15290206 0.71 RAB9A (0.50) F2RRAB9ANPC1SMN1; SMN2MAPT
SCHEMBL15290201 0.70 F2R (0.51) F2RRAB9ANPC1SMN1; SMN2KMT2A
SCHEMBL16883313 0.70 KMT2A (0.46) F2RRAB9ANPC1SMN1; SMN2KMT2A
SCHEMBL15290168 0.69 F2R (0.59) F2RRAB9ANPC1SMN1; SMN2MAPT

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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