SCHEMBL29087331

SCHEMBL29087331

O=S(=O)(Cl)c1ccc(OC(F)(F)F)nc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.36
HSD17B10 Q99714 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
SLC40A1 Q9NP59 2/20 0.33
ACLY P53396 1/20 0.33
PTGS2 P35354 2/20 0.33
PTGS1 P23219 1/20 0.32
MEN1 O00255 1/20 0.32
PABPC1 P11940 1/20 0.32
KMT2A Q03164 1/20 0.32
HDAC3 O15379 1/20 0.32
HDAC4 P56524 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC7 Q8WUI4 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC10 Q969S8 1/20 0.32
HDAC11 Q96DB2 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
HDAC9 Q9UKV0 1/20 0.32

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
SCHEMBL30269658 0.77 CA1 (0.47) ALDH1A1HSD17B10TDP1PTGS2PTGS1
SCHEMBL28016001 0.77 CA1 (0.47) ALDH1A1HSD17B10TDP1PTGS2PTGS1
SCHEMBL119737 0.77 CA1 (0.47) ALDH1A1HSD17B10TDP1PTGS2PTGS1
SCHEMBL20003539 0.76 ALDH1A1 (0.46) ALDH1A1HSD17B10TDP1MEN1PABPC1
SCHEMBL65853 0.76 FFAR4 (0.49) ALDH1A1HSD17B10TDP1PTGS2PTGS1
SCHEMBL244098 0.76 TRPV4 (0.52) ALDH1A1HSD17B10TDP1SLC40A1CYP2C9
SCHEMBL29948975 0.76 TRPV4 (0.52) ALDH1A1HSD17B10TDP1SLC40A1CYP2C9
Ammonia Solution, Strong SCHEMBL26923048 0.74 FFAR4 (0.47) ALDH1A1HSD17B10TDP1PTGS2PTGS1
SCHEMBL31190599 0.73 ALDH1A1 (0.40) ALDH1A1HSD17B10TDP1SLC40A1MEN1
SCHEMBL307288 0.72 ALDH1A1 (0.67) ALDH1A1HSD17B10TDP1

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
EP-4288414-A1 SUBSTITUTED CYCLIC MODULATORS OF PROTEIN PHOSPHATASE 2A (PP2A) AND METHODS USING SAME Rappta Therapeutics Oy (FI) 2023-12-13 EP disclosed
CN-116806217-A Substituted cyclic modulators of protein phosphatase 2A (PP 2A) and methods of use thereof 拉帕塔疗法公司 2023-09-26 CN disclosed
WO-2022167867-A1 SUBSTITUTED CYCLIC MODULATORS OF PROTEIN PHOSPHATASE 2A (PP2A) AND METHODS USING SAME RAPPTA THERAPEUTICS OY (FI) 2022-08-11 WO disclosed