SCHEMBL30765876

SCHEMBL30765876

C[C@H](N[S@@+]([O-])C(C)(C)C)c1ccc2oc3ccccc3c2c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.39
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
MMP12 P39900 2/20 0.39
MMP13 P45452 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
ALDH1A1 P00352 2/20 0.39
MAPT P10636 2/20 0.39
KDM4E B2RXH2 1/20 0.39
HPGD P15428 1/20 0.39
NPY5R Q15761 1/20 0.36
GAA P10253 1/20 0.36
HSP90AA1 P07900 1/20 0.36
HSP90AB1 P08238 1/20 0.36
AHR P35869 1/20 0.36
TNKS O95271 1/20 0.34
PARP1 P09874 1/20 0.34
TNKS2 Q9H2K2 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34

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
SCHEMBL31558514 0.92 MEN1 (0.41) SMN1; SMN2NPC1RAB9AMMP12MMP13
SCHEMBL31558591 0.92 MEN1 (0.41) SMN1; SMN2NPC1RAB9AMMP12MMP13
SCHEMBL30765841 0.87 MMP12 (0.40) SMN1; SMN2NPC1RAB9AMMP12MMP13
SCHEMBL31558501 0.87 MMP12 (0.40) SMN1; SMN2NPC1RAB9AMMP12MMP13
SCHEMBL30765967 0.83 HSP90AA1 (0.35) SMN1; SMN2NPC1RAB9AMMP12MMP13
SCHEMBL13799994 0.76 SMN1; SMN2 (0.33) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL24758633 0.75 GRM4 (0.33) CYP1A2
SCHEMBL30845316 0.75 GRM4 (0.33) CYP1A2
SCHEMBL29194855 0.75 GRM4 (0.33) CYP1A2
SCHEMBL28467546 0.75 UGT2B7 (0.46) MEN1KMT2ACYP1A2CYP2D6

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4568666-A1 PHARMACEUTICAL COMPOUNDS FOR THE TREATMENT OF COMPLEMENT MEDIATED DISORDERS Alexion Pharmaceuticals, Inc. (US) 2025-06-18 EP disclosed
CN-119768164-A Pharmaceutical compounds for treating complement-mediated disorders 阿雷克森制药公司 2025-04-04 CN disclosed
WO-2024035686-A1 PHARMACEUTICAL COMPOUNDS FOR THE TREATMENT OF COMPLEMENT MEDIATED DISORDERS ALEXION PHARMACEUTICALS, INC. (US) 2024-02-15 WO disclosed