SCHEMBL30161354

SCHEMBL30161354

COc1ccc(Cl)cc1S(=O)(=O)Nc1ccc(F)c(I)c1F

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.62
TSHR P16473 1/20 0.62
WDR5 P61964 4/20 0.60
ALDH1A1 P00352 2/20 0.55
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
MYC P01106 1/20 0.52
BRD4 O60885 2/20 0.50
ALPL P05186 2/20 0.50
LMNA P02545 1/20 0.50
HTT P42858 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
THRB P10828 1/20 0.50
HPGD P15428 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
MAPT P10636 1/20 0.50
ACLY P53396 1/20 0.48
TP53 P04637 2/20 0.48
USP2 O75604 1/20 0.48

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
SCHEMBL25450006 1.00 NPC1 (0.62) NPC1TSHRWDR5ALDH1A1MEN1
SCHEMBL25450154 0.89 SMN1; SMN2 (0.56) NPC1TSHRWDR5ALDH1A1KMT2A
SCHEMBL30161390 0.89 SMN1; SMN2 (0.56) NPC1TSHRWDR5ALDH1A1KMT2A
SCHEMBL30161652 0.88 ALDH1A1 (0.66) ALDH1A1MEN1KMT2AALPLLMNA
SCHEMBL25450199 0.88 SMN1; SMN2 (0.59) TSHRALDH1A1MEN1KMT2ABRD4
SCHEMBL25450202 0.88 ALDH1A1 (0.66) ALDH1A1MEN1KMT2AALPLLMNA
SCHEMBL30161358 0.85 ALPL (0.51) NPC1TSHRWDR5ALDH1A1MEN1
SCHEMBL25450208 0.85 ALPL (0.51) NPC1TSHRWDR5ALDH1A1MEN1
SCHEMBL25450052 0.83 MCL1 (0.64) TSHRALDH1A1HTTHPGDMAPT
SCHEMBL30161062 0.83 MCL1 (0.64) TSHRALDH1A1HTTHPGDMAPT

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