SCHEMBL29375798

SCHEMBL29375798

CC(=O)Nc1ccc([N+](=O)[O-])c2c1CCCC2=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.45
NPSR1 Q6W5P4 2/20 0.45
ALDH1A1 P00352 3/20 0.45
HTT P42858 2/20 0.43
PKM P14618 2/20 0.41
POLB P06746 2/20 0.41
KMT2A Q03164 2/20 0.41
TDP1 Q9NUW8 1/20 0.39
PDE7A Q13946 1/20 0.39
ALDH3A1 P30838 1/20 0.38
BAZ2B Q9UIF8 1/20 0.37
GALR2 O43603 1/20 0.37
MITF O75030 1/20 0.37
LMNA P02545 1/20 0.37
HSP90AA1 P07900 1/20 0.37
HPGD P15428 1/20 0.37
XBP1 P17861 1/20 0.37
CCR6 P51684 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
SLC9A1 P19634 1/20 0.37

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
SCHEMBL22463095 1.00 MAPT (0.45) MAPTNPSR1ALDH1A1HTTPKM
SCHEMBL9868010 0.90 NPSR1 (0.45) MAPTNPSR1ALDH1A1HTTPKM
SCHEMBL7652191 0.83 BAZ2B (0.44) MAPTNPSR1ALDH1A1POLBBAZ2B
SCHEMBL7154811 0.82 MAPT (0.50) MAPTNPSR1ALDH1A1HTTPKM
SCHEMBL22463098 0.78 BAZ2B (0.40) MAPTALDH1A1POLBBAZ2BHPGD
SCHEMBL29375779 0.78 BAZ2B (0.40) MAPTALDH1A1POLBBAZ2BHPGD
SCHEMBL7653325 0.77 BRD4 (0.39) MAPTALDH1A1HTTKMT2AHPGD
SCHEMBL22463087 0.76 BAZ2B (0.43) MAPTNPSR1ALDH1A1HTTPOLB
SCHEMBL10748451 0.76 BAZ2B (0.46) MAPTNPSR1ALDH1A1HTTKMT2A
SCHEMBL31177224 0.76 TP53 (0.53) MAPTALDH1A1POLBKMT2AHPGD

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3946464-A1 COMPOUNDS AND CONJUGATES THEREOF MedImmune Limited (GB) 2022-02-09 EP disclosed