SCHEMBL23716849

SCHEMBL23716849

O=Cc1ccc(SCCOC(=O)c2ccc(Cl)cc2Cl)c2c1=NOCC=2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 8/20 0.36
▸ MEN1 O00255 5/20 0.34
▸ HTT P42858 2/20 0.34
▸ AGTR1 P30556 1/20 0.34
▸ SMN1; SMN2 Q16637 3/20 0.33
▸ MAPT P10636 3/20 0.33
▸ NPC1 O15118 2/20 0.33
▸ RAB9A P51151 2/20 0.33
▸ GAA P10253 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ TDP1 Q9NUW8 4/20 0.32
▸ ITGB2 P05107 1/20 0.31
▸ ICAM1 P05362 1/20 0.31
▸ ITGAL P20701 1/20 0.31
▸ L3MBTL1 Q9Y468 2/20 0.31
▸ TNNI3 P19429 1/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ TNNT2 P45379 1/20 0.31
▸ TNNC1 P63316 1/20 0.31
▸ KEAP1 Q14145 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
SCHEMBL23716845 0.78 APOBEC3A (0.37) KMT2ASMN1; SMN2MAPTNPC1RAB9A
SCHEMBL13202360 0.62 KMT2A (0.43) KMT2AMEN1HTTAGTR1SMN1; SMN2
SCHEMBL7520602 0.61 KMT2A (0.68) KMT2AMEN1HTTAGTR1SMN1; SMN2
SCHEMBL18775878 0.60 KMT2A (0.53) KMT2AMEN1HTTAGTR1SMN1; SMN2
SCHEMBL10413526 0.60 SMN1; SMN2 (0.57) KMT2AMEN1HTTAGTR1SMN1; SMN2
SCHEMBL11345034 0.60 KMT2A (0.56) KMT2AMEN1HTTAGTR1SMN1; SMN2
SCHEMBL4975483 0.60 CYP3A4 (0.57) KMT2AMEN1HTTAGTR1SMN1; SMN2
SCHEMBL28350729 0.59 KMT2A (0.77) KMT2AMEN1HTTAGTR1RAB9A
SCHEMBL11846287 0.59 ALDH1A1 (0.59) KMT2AMEN1HTTAGTR1SMN1; SMN2
SCHEMBL18481835 0.59 KMT2A (0.73) KMT2ATDP1L3MBTL1MAPK1CHRM2

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
WO-2021155253-A1 ANAT INHIBITORS AND METHODS OF USE THEREOF Atomwise Inc. (US) 2021-08-05 — — WO disclosed
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