SCHEMBL9901995

SCHEMBL9901995

O=C(O)C(S)N1C(=O)CCC1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.43
PKM P14618 1/20 0.43
SLC1A2 P43004 1/20 0.34
KMT2A Q03164 3/20 0.33
HPGD P15428 2/20 0.33
HSD17B10 Q99714 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
MEN1 O00255 2/20 0.33
ABCB11 O95342 1/20 0.33
F2 P00734 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MAPT P10636 1/20 0.33
ALOX15 P16050 1/20 0.33
DUSP3 P51452 1/20 0.33
PTPN5 P54829 1/20 0.33
PTPN11 Q06124 1/20 0.33
LMNA P02545 1/20 0.33
CYP2C9 P11712 1/20 0.33
HIF1A Q16665 1/20 0.33
ATM Q13315 1/20 0.33

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
SCHEMBL1824404 0.81 ALDH1A1 (0.35) ALDH1A1PKMSLC1A2KMT2ACYP2C9
SCHEMBL23716973 0.75 ALDH1A1 (0.46) ALDH1A1PKMSLC1A2KMT2AMEN1
SCHEMBL31259418 0.75 ALDH1A1 (0.46) ALDH1A1PKMSLC1A2KMT2AMEN1
SCHEMBL432176 0.73 ALDH1A1 (0.44) ALDH1A1PKMSLC1A2KMT2AMEN1
SCHEMBL202493 0.71 ALDH1A1 (0.43) ALDH1A1PKMSLC1A2KMT2AMEN1
SCHEMBL1442379 0.71 ALDH1A1 (0.43) ALDH1A1PKMSLC1A2KMT2AMEN1
SCHEMBL1564214 0.71 KMT2A (0.53) ALDH1A1PKMSLC1A2KMT2AHSD17B10
SCHEMBL57078 0.71 KMT2A (0.53) ALDH1A1PKMSLC1A2KMT2AHSD17B10
SCHEMBL526394 0.71 ALDH1A1 (0.43) ALDH1A1PKMSLC1A2KMT2AMEN1
SCHEMBL6032556 0.71 DNMT1 (0.34) ALDH1A1KMT2AHPGDHSD17B10TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021004975-A1 MODIFIED IgA ANTIBODY PROTEINS UNIVERSITETET I OSLO (NO) 2021-01-14 WO disclosed
EP-2649097-A1 ANTI CCR4 ANTIBODIES AND USES THEREOF Affitech Research AS (NO) 2013-10-16 EP disclosed
WO-2012076883-A1 ANTI CCR4 ANTIBODIES AND USES THEREOF AFFITECH RESEARCH AS (NO) 2012-06-14 WO disclosed