SCHEMBL31049341

SCHEMBL31049341

C[C@H]1CO[C@@H](COC(F)F)CN1c1cc(S(=O)(=O)NC2(C)COC2)cn2c(-c3nnc(C(F)F)o3)ncc12

nearest known ligand 0.35

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PARG Q86W56 6/20 0.35
HDAC1 Q13547 4/20 0.31
HDAC6 Q9UBN7 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
SCHEMBL31049476 0.94 PARG (0.35) PARGHDAC1HDAC6
SCHEMBL31049559 0.89 PARG (0.34) PARG
SCHEMBL31049454 0.89 PARG (0.41) PARGHDAC1HDAC6
SCHEMBL31049604 0.88 PARG (0.42) PARGHDAC1HDAC6
SCHEMBL31049317 0.83 PARG (0.37) PARG
SCHEMBL31049430 0.81 PARG (0.37) PARG
SCHEMBL31049640 0.79 PARG (0.35) PARG
SCHEMBL31049432 0.78 PARG (0.40) PARGHDAC6
SCHEMBL31049465 0.77 PARG (0.39) PARG
SCHEMBL31049547 0.76 HDAC1 (0.36) PARGHDAC1

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-2024173453-A1 HETEROARYL-SUBSTITUTED IMIDAZOPYRIDINE COMPOUNDS IDEAYA BIOSCIENCES, INC. (US) 2024-08-22 WO disclosed