SCHEMBL24324586

SCHEMBL24324586

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

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.49
ATF4 P18848 9/20 0.48
RAB9A P51151 1/20 0.44
HPGD P15428 1/20 0.43
GRIN1 Q05586 3/20 0.42
GRIN2B Q13224 3/20 0.42
HDAC1 Q13547 1/20 0.41
MEN1 O00255 1/20 0.41
PPARG P37231 1/20 0.41
HTT P42858 1/20 0.41
KMT2A Q03164 1/20 0.41
NCOA2 Q15596 1/20 0.41
NCOA1 Q15788 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
NR2E3 Q9Y5X4 1/20 0.41
NCOR2 Q9Y618 1/20 0.41
NCOA3 Q9Y6Q9 1/20 0.41

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
SCHEMBL24116936 0.86 ATF4 (0.46) ALDH1A1ATF4GRIN1GRIN2BMEN1
SCHEMBL21116646 0.86 ATF4 (0.46) ALDH1A1ATF4GRIN1GRIN2BMEN1
SCHEMBL24323059 0.86 GAA (0.53) ALDH1A1ATF4MEN1HTTKMT2A
SCHEMBL24116960 0.85 TAOK1 (0.51) ALDH1A1ATF4GRIN1GRIN2B
SCHEMBL21117004 0.85 KMT2A (0.47) ALDH1A1ATF4RAB9AHPGDMEN1
SCHEMBL24324507 0.85 LMNA (0.49) ALDH1A1ATF4HPGDMEN1HTT
SCHEMBL24322876 0.85 ATF4 (0.45) ALDH1A1ATF4HTT
SCHEMBL21116455 0.85 HPGD (0.54) ALDH1A1ATF4RAB9AHPGDGRIN1
SCHEMBL24116904 0.85 KDM4E (0.50) ALDH1A1ATF4RAB9AHPGDGRIN1
SCHEMBL21116456 0.85 MEN1 (0.49) ALDH1A1ATF4MEN1PPARGHTT

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-3452453-B1 MODULATORS OF THE INTEGRATED STRESS PATHWAY CALICO LIFE SCIENCES LLC (US) 2022-04-13 EP disclosed