SCHEMBL30161802

SCHEMBL30161802

COc1cc(S(=O)(=O)Nc2ccc(F)c(I)c2F)ccc1F

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.59
ALDH1A1 P00352 6/20 0.57
KDM4E B2RXH2 1/20 0.55
HTT P42858 4/20 0.54
KMT2A Q03164 5/20 0.53
KEAP1 Q14145 1/20 0.51
NFE2L2 Q16236 1/20 0.51
SMN1; SMN2 Q16637 2/20 0.50
GAA P10253 1/20 0.50
HPGD P15428 1/20 0.50
TP53 P04637 1/20 0.50
MEN1 O00255 4/20 0.49
PKM P14618 1/20 0.49
TSHR P16473 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
ABCB1 P08183 1/20 0.47
ABCC1 P33527 1/20 0.47
MAPT P10636 1/20 0.46
THRB P10828 1/20 0.46
MAPK1 P28482 1/20 0.44

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
SCHEMBL25450361 1.00 LMNA (0.59) LMNAALDH1A1KDM4EHTTKMT2A
SCHEMBL25450174 0.94 KEAP1 (0.60) LMNAALDH1A1KDM4EHTTKMT2A
SCHEMBL30161175 0.94 KEAP1 (0.60) LMNAALDH1A1KDM4EHTTKMT2A
SCHEMBL30161490 0.89 ALDH1A1 (0.57) LMNAALDH1A1KDM4EHTTKMT2A
SCHEMBL25450191 0.89 ALDH1A1 (0.57) LMNAALDH1A1KDM4EHTTKMT2A
SCHEMBL25450395 0.88 ALDH1A1 (0.63) LMNAALDH1A1KDM4EHTTKMT2A
SCHEMBL25450333 0.85 CYP2D6 (0.43) LMNAALDH1A1KDM4EHTTKMT2A
SCHEMBL30161512 0.83 GLO1 (0.49) LMNAALDH1A1HTTKMT2AKEAP1
SCHEMBL25450289 0.83 GLO1 (0.49) LMNAALDH1A1HTTKMT2AKEAP1
SCHEMBL25450445 0.82 TSHR (0.63) ALDH1A1KDM4EHTTKMT2ASMN1; SMN2

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-115768750-A GCN2 modulator compounds 阿莱斯塔治疗公司 2023-03-07 CN disclosed
EP-4107146-A1 GCN2 MODULATOR COMPOUNDS Alesta Therapeutics BV (NL) 2022-12-28 EP disclosed