SCHEMBL24080349

SCHEMBL24080349

O=C1OC(=O)c2ccc(Oc3ccc(S(=O)(=O)c4ccc(Oc5ccc(S(=O)(=O)c6ccc(-c7ccc(S(=O)(=O)c8ccc(Oc9ccc%10c%11c(cccc9%11)C(=O)OC%10=O)cc8)cc7)cc6)cc5)cc4)cc3)c3cccc1c23

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MCL1 Q07820 7/20 0.44
▸ BCL2 P10415 5/20 0.44
▸ TYMS P04818 5/20 0.41
▸ POLB P06746 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ HTT P42858 3/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ PTGS2 P35354 1/20 0.36
▸ BCL2L1 Q07817 1/20 0.36
▸ PTPN1 P18031 1/20 0.35
▸ PRMT1 Q99873 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ PABPC1 P11940 1/20 0.34
▸ XBP1 P17861 1/20 0.34

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
SCHEMBL23430836 0.79 MCL1 (0.56) MCL1BCL2TYMSPOLBKMT2A
SCHEMBL30970627 0.74 HTT (0.41) TYMSPOLBKMT2AHTTSMN1; SMN2
SCHEMBL13753885 0.73 MCL1 (0.51) MCL1BCL2TYMSPOLBKMT2A
SCHEMBL30930083 0.72 HTT (0.50) POLBHTTSMN1; SMN2TDP1L3MBTL1
SCHEMBL12774689 0.72 HTT (0.50) POLBHTTSMN1; SMN2TDP1L3MBTL1
SCHEMBL16291732 0.72 TYMS (0.53) MCL1BCL2TYMSPOLBKMT2A
SCHEMBL24598723 0.72 HTT (0.47) MCL1BCL2POLBKMT2AHTT
SCHEMBL1198049 0.70 ADORA2A (0.50) MCL1BCL2POLBKMT2AHTT
SCHEMBL15177181 0.70 MCL1 (0.58) MCL1BCL2POLBKMT2AHTT
SCHEMBL28028227 0.70 MCL1 (0.44) MCL1BCL2POLBKMT2AMEN1

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
US-11193020-B2 Polyarylene ether sulfone comprising naphthalic acid anhydride endgroups BASF SE (DE) 2021-12-07 — — US disclosed
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