SCHEMBL8544930

SCHEMBL8544930

C=CCOC(=O)c1ccnc2c([N+](=O)[O-])cccc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.49
MEN1 O00255 7/20 0.49
KMT2A Q03164 7/20 0.49
KDM4E B2RXH2 7/20 0.49
TDP1 Q9NUW8 6/20 0.49
CYP3A4 P08684 1/20 0.46
MAPT P10636 8/20 0.44
SMN1; SMN2 Q16637 5/20 0.44
HTT P42858 4/20 0.44
MITF O75030 1/20 0.44
LMNA P02545 5/20 0.43
HSD17B10 Q99714 2/20 0.41
TSHR P16473 1/20 0.41
PDE10A Q9Y233 1/20 0.41
CTSB P07858 2/20 0.40
IDO1 P14902 2/20 0.40
TDO2 P48775 2/20 0.40
GAA P10253 2/20 0.40
PSMD14 O00487 1/20 0.40
CYP2D6 P10635 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
SCHEMBL8540697 0.81 CYP3A4 (0.46) ALDH1A1KMT2AKDM4ECYP3A4MAPT
SCHEMBL8545328 0.81 ALDH1A1 (0.58) ALDH1A1MEN1KMT2AKDM4ECYP3A4
SCHEMBL11973794 0.80 PSMD14 (0.61) ALDH1A1MEN1KMT2AKDM4ETDP1
SCHEMBL6537863 0.79 ALDH1A1 (0.55) ALDH1A1MEN1KMT2AKDM4ETDP1
SCHEMBL29800720 0.79 MEN1 (0.60) ALDH1A1MEN1KMT2AKDM4ETDP1
SCHEMBL27214168 0.79 MEN1 (0.60) ALDH1A1MEN1KMT2AKDM4ETDP1
SCHEMBL7820257 0.77 KDM4E (0.61) ALDH1A1MEN1KMT2AKDM4ETDP1
SCHEMBL4288671 0.77 CYP3A4 (0.68) ALDH1A1MEN1KMT2ACYP3A4MAPT
SCHEMBL8788034 0.77 CYP3A4 (0.55) ALDH1A1KDM4ECYP3A4MAPTSMN1; SMN2
SCHEMBL8788585 0.76 CYP3A4 (0.58) ALDH1A1MEN1KMT2ATDP1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0581500-B1 Antibiotic carbapenem compounds ZENECA LTD (GB) 1998-09-09 EP disclosed
US-5441949-A Carbapenem antibiotic compounds ZENECA LIMITED (GB) 1995-08-15 US disclosed
EP-0581500-A1 Antibiotic carbapenem compounds ZENECA LIMITED (GB) 1994-02-02 EP disclosed