SCHEMBL30970487

SCHEMBL30970487

Cc1ccc(S(=O)(=O)O)c(-c2cc(-c3cc(C)ccc3S(=O)(=O)O)c(C(=O)N3Cc4cccc(N)c4C3)c(OCC3CCCCC3)c2C)c1

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CCNA2 P20248 2/20 0.34
CDK2 P24941 2/20 0.34
CDK1 P06493 1/20 0.34
CCNB1 P14635 1/20 0.34
CNR1 P21554 1/20 0.33
F2 P00734 1/20 0.32
KAT6A Q92794 1/20 0.30
FABP4 P15090 1/20 0.30

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
SCHEMBL30970483 1.00 CCNA2 (0.34) CCNA2CDK2CDK1CCNB1CNR1
SCHEMBL30970495 0.88 F2 (0.35) CNR1F2
SCHEMBL30970490 0.86 TRAP1 (0.33)
SCHEMBL30970485 0.85 HSP90AA1 (0.33)
SCHEMBL30970486 0.85 HSP90AA1 (0.33)
SCHEMBL30368421 0.80 HSP90AA1 (0.40) CNR1
SCHEMBL25210256 0.80 TRAP1 (0.36) CCNA2CDK2CDK1CCNB1FABP4
SCHEMBL30377318 0.80 TRAP1 (0.36) CCNA2CDK2CDK1CCNB1FABP4
SCHEMBL25212540 0.79 F2 (0.36) F2
SCHEMBL31281890 0.79 TRAP1 (0.36) CCNA2CDK2CDK1CCNB1

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-118317949-A Isoindolines as PMS2 inhibitors 奈奥芬莱有限公司 2024-07-09 CN disclosed