SCHEMBL29023643

SCHEMBL29023643

O=S(=O)(O)n1ccnc1-c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.49
PLAA Q9Y263 1/20 0.40
KDR P35968 10/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA3 P07451 1/20 0.40
CA4 P22748 1/20 0.40
CA6 P23280 1/20 0.40
CA5A P35218 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40
CA13 Q8N1Q1 1/20 0.40
CA14 Q9ULX7 1/20 0.40
CA5B Q9Y2D0 1/20 0.40
ALPG P10696 1/20 0.40
LIMK2 P53671 1/20 0.39
KDM4E B2RXH2 1/20 0.37
CHEK1 O14757 1/20 0.37
ALDH1A1 P00352 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
SCHEMBL8636455 0.81 ESR1 (0.45) ESR1PLAAKDRCA12CA1
SCHEMBL24696570 0.81 ESR1 (0.45) ESR1PLAAKDRCA12CA1
SCHEMBL723626 0.80 MET (0.51) ESR1LIMK2ALDH1A1KMT2A
SCHEMBL5535962 0.77 ESR1 (0.42) ESR1PLAAKDRCA12CA1
SCHEMBL1263722 0.76 ESR1 (0.50) ESR1PLAAKDRCA12CA1
SCHEMBL28303263 0.75 L3MBTL1 (0.54) CA1CA2KDM4EALDH1A1MAPT
SCHEMBL28219756 0.74 PKM (0.52) LIMK2KDM4EALDH1A1MAPT
SCHEMBL28219334 0.74 MEN1 (0.50) LIMK2ALDH1A1MAPTKMT2A
SCHEMBL27203361 0.72 RECQL (0.44) CA12CA1CA2CA9KDM4E
SCHEMBL28848047 0.72 ESR1 (0.54) ESR1PLAAKDRCA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116315077-B Electrolyte combination, secondary injection method and lithium secondary battery 九江天赐高新材料有限公司 2024-06-04 CN claimed
CN-116315077-A Electrolyte combination, secondary injection method and lithium secondary battery 九江天赐高新材料有限公司 2023-06-23 CN claimed
CN-116315077-B Electrolyte combination, secondary injection method and lithium secondary battery 九江天赐高新材料有限公司 2024-06-04 CN disclosed
CN-116315077-A Electrolyte combination, secondary injection method and lithium secondary battery 九江天赐高新材料有限公司 2023-06-23 CN disclosed