SCHEMBL30368399

SCHEMBL30368399

Cc1ccc(S(=O)(=O)O)c(-c2cc(-c3cc(C)ccc3S(=O)(=O)O)c(C=O)c(OCC3CCCCC3)c2C)c1

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
THRA P10827 2/20 0.34
THRB P10828 2/20 0.34
TSHR P16473 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
EPHX2 P34913 1/20 0.34
MCOLN3 Q8TDD5 1/20 0.33
CCNA2 P20248 3/20 0.33
CDK2 P24941 3/20 0.33
CD4 P01730 2/20 0.33
CCNA1 P78396 2/20 0.33
PARP15 Q460N3 3/20 0.32
PARP10 Q53GL7 3/20 0.32
MAOA P21397 1/20 0.32
MAOB P27338 1/20 0.32
CDK1 P06493 1/20 0.32
CCNB1 P14635 1/20 0.32
ELANE P08246 1/20 0.32

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
SCHEMBL29266679 1.00 THRA (0.34) THRATHRBTSHRMEN1KMT2A
SCHEMBL30368321 0.95 KDM2B (0.32)
SCHEMBL30368362 0.82 MEN1 (0.33) TSHRMEN1KMT2AMCOLN3
SCHEMBL30368062 0.80 ALDH1A1 (0.38) THRBKMT2AMCOLN3
SCHEMBL30958005 0.78 AR (0.40) MEN1KMT2AMAOAMAOB
SCHEMBL29266632 0.78 AR (0.40) MEN1KMT2AMAOAMAOB
SCHEMBL30301734 0.76 ALB (0.37) MEN1KMT2AMAOAMAOBELANE
SCHEMBL30970483 0.73 CCNA2 (0.34) CCNA2CDK2CDK1CCNB1
SCHEMBL30970487 0.73 CCNA2 (0.34) CCNA2CDK2CDK1CCNB1
SCHEMBL25260408 0.71 THRA (0.41) THRATHRBCCNA2CDK2CCNA1

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
CN-118317954-A Indoline as PROTAC compound 奈奥芬莱有限公司 2024-07-09 CN disclosed
CN-118317949-A Isoindolines as PMS2 inhibitors 奈奥芬莱有限公司 2024-07-09 CN disclosed
CN-115996907-A Inhibitors of MLH1 and/or PMS2 for cancer treatment 奈奥芬莱有限公司 2023-04-21 CN disclosed