SCHEMBL29401375

SCHEMBL29401375

CC(C)(C)NS(=O)(=O)c1cc(CC(=O)O)ccc1Br

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.49
CYP26A1 O43174 1/20 0.40
MEP1B Q16820 1/20 0.40
HTT P42858 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
RXRA P19793 1/20 0.39
RXRB P28702 1/20 0.39
RXRG P48443 1/20 0.39
MAPT P10636 4/20 0.39
KDM4E B2RXH2 2/20 0.39
HPGD P15428 2/20 0.39
HSD17B10 Q99714 2/20 0.39
LMNA P02545 2/20 0.39
RGS12 O14924 1/20 0.39
GAA P10253 1/20 0.39
TSHR P16473 1/20 0.39
NFKB1 P19838 1/20 0.39
APEX1 P27695 1/20 0.39
THPO P40225 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
SCHEMBL22409141 1.00 POLB (0.49) POLBCYP26A1MEP1BHTTMEN1
SCHEMBL28686223 0.86 ALDH1A1 (0.45) MEN1KMT2ARXRARXRBRXRG
SCHEMBL22409152 0.86 ALDH1A1 (0.43) POLBMEN1KMT2AMAPTKDM4E
SCHEMBL977122 0.84 EDNRB (0.40) HTTMEN1KMT2AMAPTKDM4E
SCHEMBL29401495 0.84 EDNRB (0.40) HTTMEN1KMT2AMAPTKDM4E
SCHEMBL22409224 0.83 POLB (0.49) POLBMEP1BHTTMEN1KMT2A
SCHEMBL29403823 0.83 POLB (0.49) POLBMEP1BHTTMEN1KMT2A
SCHEMBL22409178 0.83 KMT2A (0.41) MEN1KMT2ALMNATSHRALDH1A1
SCHEMBL29403331 0.83 KMT2A (0.41) MEN1KMT2ALMNATSHRALDH1A1
SCHEMBL30884143 0.82 L3MBTL1 (0.53) MEN1KMT2AMAPTLMNAGAA

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
CN-114072390-B RAD51 inhibitors 赛泰尔治疗公司 2024-06-11 CN disclosed
CN-114072390-A RAD51 inhibitors 赛泰尔治疗公司 2022-02-18 CN disclosed