SCHEMBL29436013

SCHEMBL29436013

O=C(O)c1cnc(-c2ncccc2-c2ccccn2)c(C(=O)O)c1C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.45
TDP1 Q9NUW8 1/20 0.45
TGFBR1 P36897 4/20 0.40
KDM6B O15054 1/20 0.39
KDM4A O75164 1/20 0.39
KDM5C P41229 1/20 0.39
KDM4C Q9H3R0 1/20 0.39
KDM2A Q9Y2K7 1/20 0.39
KDM3A Q9Y4C1 1/20 0.39
DHODH Q02127 1/20 0.39
TGFBR2 P37173 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
ALDH1A1 P00352 1/20 0.37
CYP3A4 P08684 1/20 0.37
MAPT P10636 1/20 0.37
ALOX15 P16050 1/20 0.37
TSHR P16473 1/20 0.37
BLM P54132 1/20 0.37
AGER Q15109 1/20 0.37
NPSR1 Q6W5P4 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
SCHEMBL986761 0.90 KDM4E (0.46) KDM4ETDP1TGFBR1KDM6BKDM4A
SCHEMBL1539363 0.86 KDM4E (0.47) KDM4ETDP1TGFBR1KDM6BKDM4A
SCHEMBL31317750 0.83 KDM4E (0.68) KDM4ETDP1KDM6BKDM4AKDM5C
SCHEMBL2901722 0.83 KDM4E (0.68) KDM4ETDP1KDM6BKDM4AKDM5C
SCHEMBL5575174 0.80 KDM4E (0.46) KDM4ETDP1TGFBR1KDM6BKDM4A
SCHEMBL7494200 0.80 KDM4E (0.50) KDM4ETDP1TGFBR1KDM6BKDM4A
SCHEMBL1539362 0.79 KDM4E (0.44) KDM4ETDP1KDM6BKDM4AKDM5C
SCHEMBL33722654 0.78 CA12 (0.44) KDM4ETDP1TGFBR1KDM6BKDM4A
SCHEMBL30620596 0.77 KDM4E (0.52) KDM4ETDP1KDM6BKDM4AKDM5C
SCHEMBL1173966 0.77 KDM4E (0.52) KDM4ETDP1KDM6BKDM4AKDM5C

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-3272814-B1 RUTHENIUM COMPLEX DYE, DYE SOLUTION, PHOTOELECTRIC CONVERSION ELEMENT, AND DYE-SENSITIZED SOLAR CELL FUJIFILM CORP (JP) 2022-02-23 EP disclosed