SCHEMBL25802434

SCHEMBL25802434

C=C(N)CCNC(=O)COc1ccc(Cl)c(F)c1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.51
ATF4 P18848 14/20 0.50
MEN1 O00255 1/20 0.45
PPARG P37231 1/20 0.45
HTT P42858 1/20 0.45
KMT2A Q03164 1/20 0.45
NCOA2 Q15596 1/20 0.45
NCOA1 Q15788 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
NR2E3 Q9Y5X4 1/20 0.45
NCOR2 Q9Y618 1/20 0.45
NCOA3 Q9Y6Q9 1/20 0.45
GRIN1 Q05586 2/20 0.43
GRIN2B Q13224 2/20 0.43

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
SCHEMBL20999062 0.87 ALDH1A1 (0.50) ALDH1A1ATF4MEN1PPARGHTT
SCHEMBL25797486 0.86 ALDH1A1 (0.52) ALDH1A1ATF4MEN1PPARGHTT
SCHEMBL20999199 0.84 ALDH1A1 (0.52) ALDH1A1ATF4MEN1PPARGHTT
SCHEMBL22669060 0.84 ATF4 (0.52) ALDH1A1ATF4MEN1PPARGHTT
SCHEMBL20999659 0.84 ALDH1A1 (0.47) ALDH1A1ATF4MEN1PPARGHTT
SCHEMBL24043274 0.84 ALDH1A1 (0.47) ALDH1A1ATF4MEN1PPARGHTT
SCHEMBL22627859 0.83 ALDH1A1 (0.46) ALDH1A1ATF4MEN1PPARGHTT
SCHEMBL22669609 0.83 ALDH1A1 (0.46) ALDH1A1ATF4GRIN1GRIN2B
SCHEMBL24324586 0.83 ALDH1A1 (0.49) ALDH1A1ATF4MEN1PPARGHTT
SCHEMBL20999710 0.83 MEN1 (0.47) ALDH1A1ATF4MEN1HTTKMT2A

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-3452456-B1 BICYCLIC MODULATORS OF THE INTEGRATED STRESS PATHWAY CALICO LIFE SCIENCES LLC (US) 2023-07-05 EP disclosed