SCHEMBL30161358

SCHEMBL30161358

CCc1ccc(OC)c(S(=O)(=O)Nc2ccc(F)c(I)c2F)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALPL P05186 1/20 0.51
ALDH1A1 P00352 2/20 0.47
MAPT P10636 1/20 0.47
SMN1; SMN2 Q16637 3/20 0.46
TSHR P16473 2/20 0.46
CASP1 P29466 1/20 0.46
CASP7 P55210 1/20 0.46
HSD17B10 Q99714 1/20 0.46
WDR5 P61964 3/20 0.44
TP53 P04637 1/20 0.44
KMT2A Q03164 2/20 0.44
GAA P10253 1/20 0.44
MAPK1 P28482 1/20 0.44
NPC1 O15118 1/20 0.44
FABP4 P15090 1/20 0.43
KAT7 O95251 1/20 0.43
KAT6B Q8WYB5 1/20 0.43
KAT6A Q92794 1/20 0.43
ACLY P53396 2/20 0.43
POLB P06746 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
SCHEMBL25450208 1.00 ALPL (0.51) ALPLALDH1A1MAPTSMN1; SMN2TSHR
SCHEMBL25450154 0.86 SMN1; SMN2 (0.56) ALPLALDH1A1MAPTSMN1; SMN2TSHR
SCHEMBL30161390 0.86 SMN1; SMN2 (0.56) ALPLALDH1A1MAPTSMN1; SMN2TSHR
SCHEMBL30161652 0.85 ALDH1A1 (0.66) ALPLALDH1A1MAPTSMN1; SMN2CASP1
SCHEMBL25450202 0.85 ALDH1A1 (0.66) ALPLALDH1A1MAPTSMN1; SMN2CASP1
SCHEMBL30161354 0.85 NPC1 (0.62) ALPLALDH1A1MAPTSMN1; SMN2TSHR
SCHEMBL25450199 0.85 SMN1; SMN2 (0.59) ALPLALDH1A1MAPTSMN1; SMN2TSHR
SCHEMBL25450006 0.85 NPC1 (0.62) ALPLALDH1A1MAPTSMN1; SMN2TSHR
SCHEMBL25450174 0.77 KEAP1 (0.60) ALDH1A1MAPTSMN1; SMN2TSHRTP53
SCHEMBL30161175 0.77 KEAP1 (0.60) ALDH1A1MAPTSMN1; SMN2TSHRTP53

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