SCHEMBL25429745

SCHEMBL25429745

CCOC(=O)C1CCN(S(=O)(=O)c2ccc(C)cc2)c2ccc(F)cc2C1=O

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.48
▸ KMT2A Q03164 4/20 0.44
▸ LMNA P02545 4/20 0.44
▸ MEN1 O00255 1/20 0.43
▸ FKBP1A P62942 1/20 0.41
▸ POLB P06746 1/20 0.40
▸ APOBEC3A P31941 1/20 0.40
▸ APOBEC3G Q9HC16 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ HTT P42858 2/20 0.39
▸ NR1I2 O75469 1/20 0.39
▸ RORC P51449 1/20 0.39
▸ NR1H2 P55055 1/20 0.39
▸ NR1H3 Q13133 1/20 0.39
▸ TP53 P04637 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ PKM P14618 1/20 0.39

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
SCHEMBL16723452 0.90 MAPT (0.43) ALDH1A1KMT2ALMNAMEN1GAA
SCHEMBL1292014 0.89 ALDH1A1 (0.48) ALDH1A1KMT2ALMNAMEN1FKBP1A
SCHEMBL7664737 0.86 ALDH1A1 (0.45) ALDH1A1KMT2ALMNAMEN1POLB
SCHEMBL2570325 0.86 ALDH1A1 (0.52) ALDH1A1KMT2ALMNAMEN1POLB
SCHEMBL26159159 0.83 KMT2A (0.50) ALDH1A1KMT2ALMNAMEN1FKBP1A
SCHEMBL22578028 0.82 ALDH1A1 (0.52) ALDH1A1KMT2ALMNAMEN1FKBP1A
SCHEMBL10223586 0.77 ALDH1A1 (0.48) ALDH1A1KMT2ALMNAMEN1POLB
SCHEMBL16628426 0.77 TP53 (0.45) KMT2ALMNAMEN1POLBGAA
SCHEMBL17158242 0.76 KCNN4 (0.50) ALDH1A1KMT2ALMNAMEN1POLB
SCHEMBL2702360 0.76 ALDH1A1 (0.46) ALDH1A1KMT2AMEN1POLBGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023144793-A1 POL THETA INHIBITORS RHIZEN PHARMACEUTICALS AG (CH) 2023-08-03 — — WO disclosed
WO-2023144793-A1 POL THETA INHIBITORS RHIZEN PHARMACEUTICALS AG (CH) 2023-08-03 — — WO disclosed
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