SCHEMBL29026137

SCHEMBL29026137

COC(=O)c1ccc2c(c1)NC(=O)C(C(F)C(F)F)N2

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 6/20 0.51
THRB P10828 2/20 0.48
MAPT P10636 1/20 0.44
ALOX15 P16050 3/20 0.44
HSD17B10 Q99714 1/20 0.44
HTT P42858 1/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
ALDH1A1 P00352 3/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
LMNA P02545 2/20 0.42
RAB9A P51151 1/20 0.40
ALOX5 P09917 1/20 0.40
PDPK1 O15530 1/20 0.38
TSHR P16473 1/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA7 P43166 1/20 0.37
XDH P47989 1/20 0.37

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
SCHEMBL5579256 0.86 GAA (0.66) GAATHRBMAPTALOX15HSD17B10
SCHEMBL29397014 0.85 GAA (0.56) GAATHRBMAPTALOX15HSD17B10
SCHEMBL22963745 0.85 GAA (0.56) GAATHRBMAPTALOX15HSD17B10
SCHEMBL22963778 0.79 GAA (0.53) GAATHRBMAPTALOX15HSD17B10
SCHEMBL29396335 0.79 GAA (0.53) GAATHRBMAPTALOX15HSD17B10
SCHEMBL21606298 0.79 MEN1 (0.60) GAATHRBMAPTALOX15HSD17B10
SCHEMBL30908507 0.79 MEN1 (0.60) GAATHRBMAPTALOX15HSD17B10
SCHEMBL22963688 0.76 MAPT (0.53) GAATHRBMAPTALOX15HSD17B10
SCHEMBL22912782 0.75 MAPT (0.55) GAATHRBMAPTALOX15HSD17B10
SCHEMBL29394281 0.75 MAPT (0.55) GAATHRBMAPTALOX15HSD17B10

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
CN-116348115-A Combination of antibody-drug conjugate and PARP1 selective inhibitor 阿斯利康(英国)有限公司 2023-06-27 CN disclosed