SCHEMBL8327552

SCHEMBL8327552

C/C(N)=C/C(=O)OC/C=C(/c1cccnc1)c1cccs1

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 10/20 0.54
LMNA P02545 3/20 0.45
ALDH1A1 P00352 2/20 0.45
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.42
KDM4E B2RXH2 1/20 0.42
PKM P14618 1/20 0.42
HTT P42858 1/20 0.40
GAA P10253 1/20 0.40

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
SCHEMBL7555949 0.80 TBXAS1 (0.55) TBXAS1LMNAALDH1A1KMT2AMEN1
SCHEMBL10617438 0.70 TBXAS1 (1.00) TBXAS1
SCHEMBL10617444 0.70 TBXAS1 (1.00) TBXAS1
SCHEMBL10632145 0.70 TBXAS1 (1.00) TBXAS1
SCHEMBL9825437 0.70 TBXAS1 (1.00) TBXAS1
SCHEMBL9825243 0.70 TBXAS1 (1.00) TBXAS1
SCHEMBL9825241 0.70 TBXAS1 (1.00) TBXAS1
SCHEMBL10635075 0.70 TBXAS1 (0.98) TBXAS1
SCHEMBL10635070 0.70 TBXAS1 (0.98) TBXAS1
SCHEMBL8807682 0.69 TBXAS1 (0.60) TBXAS1LMNAALDH1A1KMT2AMEN1

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
EP-0943615-A1 1,4-DIHYDROPYRIDINE DERIVATIVES Nikken Chemicals Company, Limited (JP) 1999-09-22 EP disclosed