SCHEMBL29930744

SCHEMBL29930744

O=[N+]([O-])c1ccccc1C1C=CSS1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CUL4A Q13619 1/20 0.43
KDM4E B2RXH2 4/20 0.41
KMT2A Q03164 3/20 0.41
MAPT P10636 3/20 0.41
MEN1 O00255 2/20 0.41
GAA P10253 1/20 0.41
HTT P42858 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
HSD17B10 Q99714 2/20 0.40
TDP1 Q9NUW8 5/20 0.38
ALDH1A1 P00352 7/20 0.38
LMNA P02545 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
TSHR P16473 2/20 0.38
ABCC4 O15439 1/20 0.38
PLIN1 O60240 1/20 0.38
CACNA1F O60840 1/20 0.38
GMNN O75496 1/20 0.38
KCNK2 O95069 1/20 0.38
ABCB11 O95342 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
SCHEMBL11451918 0.70 GPR35 (0.50) CUL4AKDM4EKMT2AMAPTMEN1
SCHEMBL11451916 0.70 GPR35 (0.50) CUL4AKDM4EKMT2AMAPTMEN1
SCHEMBL31525035 0.68 HSD17B10 (0.47) CUL4AKDM4EKMT2AMAPTMEN1
SCHEMBL3253975 0.68 HSD17B10 (0.47) CUL4AKDM4EKMT2AMAPTMEN1
SCHEMBL29525039 0.68 ALDH1A1 (0.48) CUL4AKDM4EKMT2AMAPTMEN1
SCHEMBL16355165 0.67 HSD17B10 (0.67) KMT2AMEN1L3MBTL1HSD17B10TDP1
SCHEMBL22566 0.67 HSD17B10 (0.67) KMT2AMEN1L3MBTL1HSD17B10TDP1
SCHEMBL29577518 0.67 HSD17B10 (0.67) KMT2AMEN1L3MBTL1HSD17B10TDP1
SCHEMBL7186078 0.67 KMT2A (0.45) CUL4AKDM4EKMT2AMAPTMEN1
SCHEMBL9595282 0.66 KMT2A (0.47) CUL4AKDM4EKMT2AMAPTMEN1

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
CN-113226377-B Antibody drug conjugates comprising an eltrinastine derivative 法马马有限公司 2022-10-18 CN disclosed