SCHEMBL31228582

SCHEMBL31228582

Cc1ccc(Oc2nc3cc(-c4ccc5c(ccn5C)c4)c(Cl)cc3[nH]2)cc1C(=O)NCCC(=O)O

nearest known ligand 0.78

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PRKAB1 Q9Y478 17/20 0.78
PRKAG1 P54619 16/20 0.78
PRKAA2 P54646 11/20 0.78
PRKAA1 Q13131 9/20 0.78
PRKAG2 Q9UGJ0 2/20 0.57
PRKAB2 O43741 1/20 0.57
TFDP2 Q14188 1/20 0.57
PRKAG3 Q9UGI9 1/20 0.57
GCGR P47871 2/20 0.41
KDM4C Q9H3R0 1/20 0.36

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
SCHEMBL31176342 0.96 PRKAB1 (0.75) PRKAB1PRKAG1PRKAA2PRKAA1PRKAG2
SCHEMBL31176506 0.95 PRKAB1 (0.74) PRKAB1PRKAG1PRKAA2PRKAA1PRKAG2
SCHEMBL31176358 0.94 PRKAB1 (0.73) PRKAB1PRKAG1PRKAA2PRKAA1PRKAG2
SCHEMBL31228640 0.94 PRKAB1 (0.73) PRKAB1PRKAG1PRKAA2PRKAA1PRKAG2
SCHEMBL31176387 0.94 PRKAB1 (0.73) PRKAB1PRKAG1PRKAA2PRKAA1PRKAG2
SCHEMBL31176330 0.93 PRKAB1 (0.71) PRKAB1PRKAG1PRKAA2PRKAA1PRKAG2
SCHEMBL31176429 0.93 PRKAB1 (0.80) PRKAB1PRKAG1PRKAA2PRKAA1PRKAG2
SCHEMBL31176388 0.93 PRKAB1 (0.77) PRKAB1PRKAG1PRKAA2PRKAA1PRKAG2
SCHEMBL31176303 0.89 PRKAB1 (0.72) PRKAB1PRKAG1PRKAA2PRKAA1PRKAG2
SCHEMBL31176385 0.89 PRKAB1 (0.72) PRKAB1PRKAG1PRKAA2PRKAA1PRKAG2

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-2024233280-A1 HETEROBIFUNCTIONAL SMALL MOLECULES THAT DEUBIQUITINYLATE AND STABILIZE TARGET PROTEINS BY RECRUITING USP7 ICAHN SCHOOL OF MEDICINE AT MOUNT SINAI (US) 2024-11-14 WO disclosed