Sugi Predict

Sugi Predict / Compounds / SCHEMBL30958009

SCHEMBL30958009

SCHEMBL30958009

Cc1ccc(S(=O)(=O)O)c(-c2cc(-c3cc(C)ccc3S(=O)(=O)O)c(C(=O)N3Cc4ccc(CN5CCN(CCOCCOCCOCCNC(=O)OC(C)(C)C)CC5)cc4C3)c(OCc3ccccc3)c2C)c1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ SUCNR1 Q9BXA5 2/20 0.38
▸ SIGMAR1 Q99720 3/20 0.38
▸ HTR2A P28223 1/20 0.34
▸ HTR7 P34969 1/20 0.34
▸ PKM P14618 1/20 0.34
▸ BCHE P06276 1/20 0.34
▸ CNR2 P34972 1/20 0.34
▸ NAMPT P43490 1/20 0.33
▸ DRD2 P14416 4/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ PARP1 P09874 1/20 0.33

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
SCHEMBL30462403 0.85 SIGMAR1 (0.42) SUCNR1SIGMAR1HTR2AHTR7BCHE
SCHEMBL30462412 0.85 SIGMAR1 (0.42) SUCNR1SIGMAR1HTR2AHTR7BCHE
SCHEMBL29263229 0.84 SIGMAR1 (0.42) SUCNR1SIGMAR1HTR2AHTR7BCHE
SCHEMBL25229325 0.84 SIGMAR1 (0.37) SUCNR1SIGMAR1HTR2AHTR7BCHE
SCHEMBL30156627 0.84 SIGMAR1 (0.41) SUCNR1SIGMAR1PKMBCHEDRD2
SCHEMBL30958001 0.82 CHRM3 (0.37) PKMMEN1KMT2A
SCHEMBL31588166 0.78 SIGMAR1 (0.51) SUCNR1SIGMAR1HTR2ANAMPT
SCHEMBL23673760 0.78 SIGMAR1 (0.51) SUCNR1SIGMAR1HTR2ANAMPT
SCHEMBL30368417 0.78 HSP90AA1 (0.44) PKMNAMPT
SCHEMBL30368050 0.78 HSP90AA1 (0.46) PKMNAMPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118317954-A Indoline as PROTAC compound 奈奥芬莱有限公司 2024-07-09 — — CN disclosed