SCHEMBL21173946

SCHEMBL21173946

O=C(O)c1ccnc(C(=O)O)n1.O=C(O)c1cnc(C(=O)O)nc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P4HA1 P13674 3/20 0.47
P4HTM Q9NXG6 2/20 0.47
MIF P14174 1/20 0.47
KDM4E B2RXH2 5/20 0.46
KDM5A P29375 2/20 0.46
KDM3A Q9Y4C1 2/20 0.46
ALDH1A1 P00352 2/20 0.46
KDM6B O15054 1/20 0.46
TET3 O43151 1/20 0.46
KDM4A O75164 1/20 0.46
BBOX1 O75936 1/20 0.46
MAPT P10636 1/20 0.46
KDM5C P41229 1/20 0.46
ASPH Q12797 1/20 0.46
KDM4D Q6B0I6 1/20 0.46
TET2 Q6N021 1/20 0.46
ALKBH5 Q6P6C2 1/20 0.46
KDM7A Q6ZMT4 1/20 0.46
KDM8 Q8N371 1/20 0.46
TET1 Q8NFU7 1/20 0.46

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
SCHEMBL87765 0.87 KDM4E (0.55) P4HTMKDM4EKDM5AKDM3AALDH1A1
SCHEMBL31126262 0.87 KDM4E (0.55) P4HTMKDM4EKDM5AKDM3AALDH1A1
Bromide SCHEMBL21331919 0.85 KDM4E (0.53) P4HTMKDM4EKDM5AKDM3AALDH1A1
Hydrochloric Acid SCHEMBL21173938 0.85 KDM4E (0.53) P4HTMKDM4EKDM5AKDM3AALDH1A1
Fluoride SCHEMBL21332111 0.85 KDM4E (0.53) P4HTMKDM4EKDM5AKDM3AALDH1A1
SCHEMBL3705899 0.79 ALDH1A1 (0.54) P4HA1P4HTMMIFKDM4EALDH1A1
SCHEMBL1505808 0.73 KDM4E (0.57) P4HA1P4HTMMIFKDM4EKDM5A
SCHEMBL310899 0.73 KDM4E (0.49) P4HTMKDM4EKDM5AKDM3AALDH1A1
SCHEMBL4823798 0.72 KDM4E (0.41) KDM4EKDM5AKDM3AALDH1A1KDM6B
SCHEMBL14782174 0.70 KDM4E (0.46) KDM4EKDM5AKDM3AALDH1A1KDM6B

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-3512905-A1 METHOD FOR PRODUCING A POLYBENZAZOL POLYMER (P) BASF SE (DE) 2019-07-24 EP disclosed