SCHEMBL30161652

SCHEMBL30161652

COc1ccc(OC)c(S(=O)(=O)Nc2ccc(F)c(I)c2F)c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.66
MAPT P10636 2/20 0.66
SMN1; SMN2 Q16637 4/20 0.62
KMT2A Q03164 4/20 0.62
GAA P10253 3/20 0.62
MAPK1 P28482 1/20 0.62
NPSR1 Q6W5P4 2/20 0.56
TP53 P04637 2/20 0.55
MEN1 O00255 3/20 0.55
KDM4E B2RXH2 1/20 0.55
POLB P06746 1/20 0.55
PKM P14618 1/20 0.55
HPGD P15428 1/20 0.55
ALOX15 P16050 1/20 0.55
CASP1 P29466 1/20 0.55
HTT P42858 1/20 0.55
HSD17B10 Q99714 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.53
ALPL P05186 1/20 0.53
LMNA P02545 1/20 0.50

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
SCHEMBL25450202 1.00 ALDH1A1 (0.66) ALDH1A1MAPTSMN1; SMN2KMT2AGAA
SCHEMBL25450154 0.89 SMN1; SMN2 (0.56) ALDH1A1MAPTSMN1; SMN2KMT2AGAA
SCHEMBL30161390 0.89 SMN1; SMN2 (0.56) ALDH1A1MAPTSMN1; SMN2KMT2AGAA
SCHEMBL30161354 0.88 NPC1 (0.62) ALDH1A1MAPTSMN1; SMN2KMT2ANPSR1
SCHEMBL25450199 0.88 SMN1; SMN2 (0.59) ALDH1A1MAPTSMN1; SMN2KMT2AGAA
SCHEMBL25450006 0.88 NPC1 (0.62) ALDH1A1MAPTSMN1; SMN2KMT2ANPSR1
SCHEMBL30161358 0.85 ALPL (0.51) ALDH1A1MAPTSMN1; SMN2KMT2AGAA
SCHEMBL25450208 0.85 ALPL (0.51) ALDH1A1MAPTSMN1; SMN2KMT2AGAA
SCHEMBL25450174 0.80 KEAP1 (0.60) ALDH1A1MAPTSMN1; SMN2KMT2AMAPK1
SCHEMBL30161175 0.80 KEAP1 (0.60) ALDH1A1MAPTSMN1; SMN2KMT2AMAPK1

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