SCHEMBL22732202

SCHEMBL22732202

CCOC(=O)c1cnc(C(C)(C)OCC)cc1-c1ccccc1OC

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.44
▸ TP53 P04637 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ ERN1 O75460 1/20 0.43
▸ DPP4 P27487 2/20 0.42

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
SCHEMBL22717380 0.81 KDM4E (0.50) LMNATP53MAPTMEN1KMT2A
SCHEMBL22717735 0.81 DPP4 (0.49) LMNATP53MAPTMEN1KMT2A
SCHEMBL30898516 0.81 KDM4E (0.50) LMNATP53MAPTMEN1KMT2A
SCHEMBL22717307 0.80 LMNA (0.46) LMNATP53MAPTMEN1KMT2A
SCHEMBL22717257 0.80 MAPT (0.47) LMNATP53MAPTMEN1KMT2A
SCHEMBL22717520 0.80 GABRP (0.51) LMNATP53MAPTMEN1KMT2A
SCHEMBL22717419 0.79 DPP4 (0.53) LMNATP53MAPTDPP4
SCHEMBL25309295 0.78 NPSR1 (0.48) LMNATP53MAPTMEN1KMT2A
SCHEMBL22717411 0.78 GABRP (0.49) LMNATP53MAPTMEN1KMT2A
SCHEMBL22717826 0.78 MAPT (0.48) LMNATP53MAPTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3976608-B1 THIADIAZOLYL DERIVATIVES AS DNA POLYMERASE THETA INHIBITORS IDEAYA BIOSCIENCES INC (US) 2023-11-08 — — EP disclosed
WO-2020243459-A1 THIADIAZOLYL DERIVATIVES AS DNA POLYMERASE THETA INHIBITORS IDEAYA BIOSCIENCES, INC. (US) 2020-12-03 — — WO disclosed
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