SCHEMBL21711270

SCHEMBL21711270

O=C(Oc1c(I)cc(I)cc1I)c1cccc2c(C(=O)ON3C(=O)CCC3=O)cccc12

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.33
▸ POLB P06746 2/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ GAA P10253 1/20 0.32
▸ MAPK1 P28482 1/20 0.31

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
SCHEMBL21711250 0.95 KMT2A (0.33) KMT2APOLBSMN1; SMN2MAPK1
SCHEMBL21711252 0.81 KMT2A (0.37) KMT2APOLBMAPK1
SCHEMBL21500820 0.78 ESR1 (0.46) KMT2APOLBSMN1; SMN2GAA
SCHEMBL30737187 0.75 PRNP (0.44) KMT2APOLB
SCHEMBL9391593 0.74 KMT2A (0.48) KMT2APOLBSMN1; SMN2GAA
SCHEMBL568692 0.74 HDAC3 (0.33) —
SCHEMBL21711249 0.74 MGLL (0.35) POLB
SCHEMBL16871706 0.74 PTPN2 (0.46) KMT2APOLBSMN1; SMN2
SCHEMBL21500823 0.72 ESR1 (0.40) KMT2APOLBSMN1; SMN2GAAMAPK1
SCHEMBL21711246 0.71 — —

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-20200050107-A1 RESIST COMPOSITION AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2020-02-13 — — US disclosed
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