SCHEMBL30161390

SCHEMBL30161390

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

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.56
HTT P42858 1/20 0.56
ALDH1A1 P00352 1/20 0.51
MAPT P10636 1/20 0.51
ACLY P53396 2/20 0.51
ALPL P05186 2/20 0.51
LMNA P02545 3/20 0.50
USP2 O75604 1/20 0.50
POLB P06746 1/20 0.50
NPC1 O15118 1/20 0.50
TSHR P16473 1/20 0.50
GAA P10253 2/20 0.49
HSD17B10 Q99714 1/20 0.49
WDR5 P61964 1/20 0.47
MAPK1 P28482 1/20 0.47
KMT2A Q03164 1/20 0.47
FABP4 P15090 1/20 0.47

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
SCHEMBL25450154 1.00 SMN1; SMN2 (0.56) SMN1; SMN2HTTALDH1A1MAPTACLY
SCHEMBL30161652 0.89 ALDH1A1 (0.66) SMN1; SMN2HTTALDH1A1MAPTALPL
SCHEMBL30161354 0.89 NPC1 (0.62) SMN1; SMN2HTTALDH1A1MAPTACLY
SCHEMBL25450006 0.89 NPC1 (0.62) SMN1; SMN2HTTALDH1A1MAPTACLY
SCHEMBL25450199 0.89 SMN1; SMN2 (0.59) SMN1; SMN2HTTALDH1A1MAPTACLY
SCHEMBL25450202 0.89 ALDH1A1 (0.66) SMN1; SMN2HTTALDH1A1MAPTALPL
SCHEMBL30161358 0.86 ALPL (0.51) SMN1; SMN2ALDH1A1MAPTACLYALPL
SCHEMBL25450208 0.86 ALPL (0.51) SMN1; SMN2ALDH1A1MAPTACLYALPL
SCHEMBL25449978 0.85 PTGES2 (0.50) ACLYPOLBTSHRHSD17B10KMT2A
SCHEMBL30161625 0.85 PTGES2 (0.50) ACLYPOLBTSHRHSD17B10KMT2A

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