SCHEMBL25837470

SCHEMBL25837470

C=C(/C=N\C)CNC(=O)OC(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.40
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
GAA P10253 1/20 0.38
ALDH1A1 P00352 3/20 0.35
TSHR P16473 1/20 0.35
CA2 P00918 4/20 0.34
CA12 O43570 3/20 0.34
CA14 Q9ULX7 1/20 0.34
CA1 P00915 3/20 0.34
CA9 Q16790 2/20 0.34
EPHX1 P07099 1/20 0.34
HCRTR2 O43614 1/20 0.33
CTSK P43235 2/20 0.33
CYP2D6 P10635 1/20 0.33
CA7 P43166 1/20 0.33

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
SCHEMBL23997578 0.84 MEN1 (0.40) TDP1MAOAMAOBKMT2AMEN1
SCHEMBL20782862 0.81 TDP1 (0.43) TDP1MAOAMAOBKMT2AMEN1
SCHEMBL19654856 0.80 TDP1 (0.40) TDP1MAOAMAOBKMT2AMEN1
SCHEMBL12801496 0.78 TDP1 (0.41) TDP1MAOAMAOBKMT2AMEN1
SCHEMBL8295860 0.77 MAOA (0.51) TDP1MAOAMAOBKMT2AMEN1
SCHEMBL21687230 0.77 TDP1 (0.40) TDP1MAOAMAOBKMT2AMEN1
SCHEMBL18689367 0.76 TDP1 (0.48) TDP1MAOAMAOBKMT2AMEN1
SCHEMBL19407027 0.75 TDP1 (0.39) TDP1MAOAMAOBKMT2AMEN1
SCHEMBL14044868 0.74 MEN1 (0.49) TDP1MAOAMAOBKMT2AMEN1
SCHEMBL3131272 0.74 TDP1 (0.47) TDP1MAOAMAOBKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023122780-A9 2-PYRAZOLE ANILINES AND RELATED ANALOGS FOR INHIBITING YAP/TAZ-TEAD THE KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2023-11-30 WO disclosed
WO-2023122780-A2 2-PYRAZOLE ANILINES AND RELATED ANALOGS FOR INHIBITING YAP/TAZ-TEAD THE KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2023-06-29 WO disclosed