SCHEMBL20093686

SCHEMBL20093686

Cc1noc(C)c1-c1ccc(NC2CCCCC2)c([N+](=O)[O-])c1

nearest known ligand 0.63

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.59
TP53 P04637 2/20 0.59
POLB P06746 3/20 0.56
MAPT P10636 4/20 0.56
BRD4 O60885 3/20 0.53
BRD2 P25440 3/20 0.53
BRD3 Q15059 3/20 0.53
HCAR3 P49019 2/20 0.51
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
ALDH1A1 P00352 2/20 0.48
LMNA P02545 2/20 0.48
MAPK1 P28482 1/20 0.48
WNK1 Q9H4A3 1/20 0.48
HPGD P15428 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48

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
SCHEMBL20093733 0.97 TP53 (0.57) RXFP1TP53POLBMAPTBRD4
SCHEMBL18174277 0.91 TP53 (0.51) RXFP1TP53POLBMAPTBRD4
SCHEMBL20093936 0.90 TP53 (0.50) RXFP1TP53POLBMAPTBRD4
SCHEMBL20094329 0.89 TP53 (0.49) RXFP1TP53POLBMAPTBRD4
SCHEMBL29741421 0.89 TP53 (0.49) RXFP1TP53POLBMAPTBRD4
SCHEMBL20093719 0.89 TP53 (0.49) RXFP1TP53POLBMAPTBRD4
SCHEMBL22133826 0.89 TP53 (0.49) RXFP1TP53POLBMAPTBRD4
SCHEMBL18174304 0.88 TP53 (0.48) RXFP1TP53POLBMAPTBRD4
SCHEMBL29741358 0.88 TP53 (0.48) RXFP1TP53POLBMAPTBRD4
SCHEMBL22134066 0.87 TP53 (0.52) RXFP1TP53POLBMAPTBRD4

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
EP-3529248-B1 PHARMACEUTICAL COMPOUNDS CELLCENTRIC LTD (GB) 2020-08-19 EP disclosed
WO-2018073586-A1 PHARMACEUTICAL COMPOUNDS CELLCENTRIC LTD (GB) 2018-04-26 WO disclosed