SCHEMBL24501442

SCHEMBL24501442

Nc1nnc(OCCCC2CCOCC2)s1

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ TLR7 Q9NYK1 7/20 0.35
▸ S1PR5 Q9H228 1/20 0.32
▸ DHFR P00374 1/20 0.32
▸ DCPS Q96C86 1/20 0.32
▸ LMNA P02545 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ NAAA Q02083 1/20 0.31
▸ OPRL1 P41146 2/20 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
SCHEMBL24501049 0.82 DHFR (0.39) POLBGAADHFRDCPS
SCHEMBL22717711 0.81 POLB (0.45) POLBGAALMNAMAPTRAB9A
SCHEMBL27294311 0.77 MCHR1 (0.43) POLBGAADHFRDCPS
SCHEMBL31083249 0.72 GLS (0.33) POLBGAADHFRDCPSRAB9A
SCHEMBL22717781 0.71 POLB (0.40) POLBGAARAB9A
SCHEMBL18010480 0.71 POLB (0.71) POLBGAA
SCHEMBL11555746 0.70 RAB9A (0.57) LMNAMAPTRAB9A
SCHEMBL24501428 0.69 POLB (0.33) POLBGAA
SCHEMBL24501285 0.68 POLB (0.35) POLBGAA
SCHEMBL29108213 0.68 POLB (0.32) POLBGAA

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-2022118210-A1 SUBSTITUTED THIADIAZOLYL DERIVATIVES AS DNA POLYMERASE THETA INHIBITORS IDEAYA BIOSCIENCES, INC. (US) 2022-06-09 — — WO disclosed
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