SCHEMBL8874751

SCHEMBL8874751

COC(=O)c1cc(OC)c(C(=O)OC)c([N+](=O)[O-])c1OC

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.62
PKM P14618 1/20 0.55
KDM4E B2RXH2 6/20 0.48
POLB P06746 5/20 0.48
USP2 O75604 1/20 0.44
HSD17B10 Q99714 1/20 0.44
CTDSP1 Q9GZU7 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.42
ALDH1A1 P00352 3/20 0.41
KMT2A Q03164 1/20 0.40
GAA P10253 2/20 0.39
HTT P42858 2/20 0.39
HPGD P15428 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
RECQL P46063 1/20 0.38

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
SCHEMBL8874760 0.92 PKM (0.63) SMN1; SMN2PKMKDM4EPOLBUSP2
SCHEMBL2907457 0.82 PKM (0.75) SMN1; SMN2PKMKDM4EPOLBUSP2
SCHEMBL9573627 0.80 PKM (0.52) SMN1; SMN2PKMKDM4EPOLBCTDSP1
SCHEMBL5962841 0.79 PKM (0.58) SMN1; SMN2PKMKDM4EPOLBUSP2
SCHEMBL5962801 0.79 PKM (0.58) SMN1; SMN2PKMKDM4EPOLBUSP2
SCHEMBL8875531 0.79 SMN1; SMN2 (0.82) SMN1; SMN2PKMKDM4EPOLBCTDSP1
SCHEMBL23412396 0.78 PKM (0.57) SMN1; SMN2PKMKDM4EPOLBUSP2
SCHEMBL15440631 0.77 KDM4E (0.59) SMN1; SMN2PKMKDM4EPOLBCTDSP1
SCHEMBL18308364 0.76 SMN1; SMN2 (0.50) SMN1; SMN2PKMKDM4EPOLBCTDSP1
SCHEMBL20589803 0.76 POLB (0.50) SMN1; SMN2PKMKDM4EPOLBUSP2

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
US-5639881-A ANTITUMOR AGENTS, TREATMENT OF BREAST CANCER ARIZONA BOARD OF REGENTS ACTING ON BEHALF OF ARIZONA STATE UNIVERSITY (US) 1997-06-17 US disclosed