SCHEMBL24770262

SCHEMBL24770262

COc1cnc(Cl)cc1-c1cc(CO)ncc1C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ POLQ O75417 18/20 0.45
▸ KDM4E B2RXH2 1/20 0.40
▸ DHFR P00374 1/20 0.40

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
SCHEMBL30016043 1.00 POLQ (0.45) POLQKDM4EDHFR
SCHEMBL29261576 0.89 POLQ (0.47) POLQDHFR
SCHEMBL29694670 0.89 POLQ (0.45) POLQKDM4EDHFR
SCHEMBL24501625 0.89 POLQ (0.45) POLQKDM4EDHFR
SCHEMBL24770258 0.89 POLQ (0.45) POLQKDM4EDHFR
SCHEMBL24501618 0.86 POLQ (0.45) POLQDHFR
SCHEMBL30640084 0.86 POLQ (0.45) POLQDHFR
SCHEMBL24500340 0.83 POLQ (0.59) POLQDHFR
SCHEMBL24501363 0.83 POLQ (0.47) POLQKDM4EDHFR
SCHEMBL24769346 0.81 PDCD1 (0.41) POLQ

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-2022259204-A1 O-LINKED THIADIAZOLYL COMPOUNDS AS DNA POLYMERASE THETA INHIBITORS IDEAYA BIOSCIENCES, INC. (US) 2022-12-15 — — WO disclosed
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