SCHEMBL25896232

SCHEMBL25896232

Cc1cc(S(=O)(=O)N2CC[C@H](F)C2)ccc1Br

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.52
MEN1 O00255 4/20 0.52
KMT2A Q03164 4/20 0.52
LMNA P02545 4/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
ABL1 P00519 1/20 0.49
RIN1 Q13671 1/20 0.49
MCOLN3 Q8TDD5 3/20 0.47
POLB P06746 2/20 0.47
PKM P14618 1/20 0.47
TSHR P16473 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
GAA P10253 3/20 0.45
HTT P42858 2/20 0.44
MAPT P10636 3/20 0.43
KDM4E B2RXH2 1/20 0.43
TP53 P04637 1/20 0.43
THRB P10828 1/20 0.43
HSD17B10 Q99714 1/20 0.42

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
SCHEMBL29859401 0.86 ALDH1A1 (0.50) ALDH1A1MEN1KMT2ALMNAL3MBTL1
SCHEMBL19989344 0.86 ALDH1A1 (0.50) ALDH1A1MEN1KMT2ALMNAL3MBTL1
SCHEMBL19989346 0.86 ALDH1A1 (0.50) ALDH1A1MEN1KMT2ALMNAL3MBTL1
SCHEMBL19989448 0.86 ALDH1A1 (0.50) ALDH1A1MEN1KMT2ALMNAL3MBTL1
SCHEMBL29859224 0.86 ALDH1A1 (0.50) ALDH1A1MEN1KMT2ALMNAL3MBTL1
SCHEMBL29859193 0.85 MEN1 (0.51) ALDH1A1MEN1KMT2ALMNAL3MBTL1
SCHEMBL19989280 0.83 ABL1 (0.55) ALDH1A1MEN1KMT2ALMNAL3MBTL1
SCHEMBL29859621 0.83 ABL1 (0.55) ALDH1A1MEN1KMT2ALMNAL3MBTL1
SCHEMBL19994831 0.82 ABL1 (0.49) ALDH1A1MEN1KMT2ALMNAL3MBTL1
SCHEMBL29498589 0.82 ABL1 (0.49) ALDH1A1MEN1KMT2ALMNAL3MBTL1

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-2023127814-A1 SUBSTITUTED QUINOLINE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2023-07-06 WO disclosed