SCHEMBL11426727

SCHEMBL11426727

CC(C)CCc1nnc(N)s1

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
POLB P06746 4/20 0.57
ALDH1A1 P00352 4/20 0.57
GLS O94925 2/20 0.53
GAA P10253 2/20 0.48
ATM Q13315 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.44
F2 P00734 1/20 0.42
HTT P42858 1/20 0.42
HSD17B10 Q99714 1/20 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
SCHEMBL10952699 0.84 POLB (0.53) POLBALDH1A1GLSGAAATM
SCHEMBL14977352 0.82 POLB (0.52) POLBALDH1A1GLSGAAATM
SCHEMBL11259355 0.82 POLB (0.54) POLBALDH1A1GLSGAAATM
SCHEMBL10130895 0.78 HPGD (0.53) POLBALDH1A1GLSGAAF2
SCHEMBL22861048 0.77 POLB (0.37) POLBALDH1A1GLS
SCHEMBL7161882 0.76
SCHEMBL14977428 0.75 ALDH1A1 (0.86) POLBALDH1A1GLSGAAATM
SCHEMBL14975757 0.75 ALDH1A1 (0.95) POLBALDH1A1GLSGAAATM
SCHEMBL27612227 0.75 POLB (0.52) POLBALDH1A1GLSGAAATM
SCHEMBL1968819 0.74 ALDH1A1 (0.88) POLBALDH1A1GLSGAAATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023067515-A1 THIADIAZOLYL COMPOUNDS AS DNA POLYMERASE THETA INHIBITORS IDEAYA BIOSCIENCES, INC. (US) 2023-04-27 WO disclosed
WO-2023067515-A1 THIADIAZOLYL COMPOUNDS AS DNA POLYMERASE THETA INHIBITORS IDEAYA BIOSCIENCES, INC. (US) 2023-04-27 WO disclosed
US-4233214-A FOR POLYACRYLONITRILE AND ACID-MODIFIED POLYESTERS OR POLYAMIDES BAYER AKTIENGESELLSCHAFT (DE) 1980-11-11 US disclosed
US-4036826-A Cationic azo dyestuffs with a hydroxyalkylated ammonium group BAYER AKTIENGESELLSCHAFT (DT) 1977-07-19 US disclosed