SCHEMBL30951401

SCHEMBL30951401

OCCOCc1cc(Cl)nnc1Cl

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 1/20 0.35
▸ TSHR P16473 1/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ MEN1 O00255 1/20 0.30
▸ KMT2A Q03164 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
SCHEMBL30951345 0.82 TDP1 (0.35) TDP1
SCHEMBL30951445 0.75 TDP1 (0.41) TDP1
SCHEMBL21752097 0.75 TDP1 (0.41) TDP1
SCHEMBL10846450 0.74 TDP1 (0.44) TDP1
SCHEMBL15884262 0.73 TDP1 (0.40) TDP1MEN1KMT2A
SCHEMBL23748091 0.72 TDP1 (0.39) TDP1
SCHEMBL30951365 0.72 TDP1 (0.39) TDP1
SCHEMBL28834293 0.71 TDP1 (0.39) TDP1MEN1KMT2A
SCHEMBL2767989 0.70 TDP1 (0.38) TDP1KMT2A
SCHEMBL30310964 0.70 TDP1 (0.38) TDP1KMT2A

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
WO-2024094150-A1 NLRP3 INFLAMMASOME INHIBITORS AND USES THEREOF INSILICO MEDICINE IP LIMITED (CN) 2024-05-10 — — WO disclosed
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