SCHEMBL19577445

SCHEMBL19577445

CCOc1ccc(CNC(=O)C2C[C@H](NC(=O)COc3ccc(Cl)c(F)c3)C3CC2C3)cc1

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ATF4 P18848 14/20 0.46
▸ LMNA P02545 1/20 0.40
▸ TP53 P04637 1/20 0.40
▸ GAA P10253 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38

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
SCHEMBL24323140 1.00 ATF4 (0.46) ATF4LMNATP53GAAALDH1A1
SCHEMBL24322956 0.92 GAA (0.47) ATF4LMNAGAAALDH1A1MEN1
SCHEMBL19577482 0.92 GAA (0.47) ATF4LMNAGAAALDH1A1MEN1
SCHEMBL24323450 0.92 GAA (0.47) ATF4LMNAGAAALDH1A1MEN1
SCHEMBL24322967 0.92 ATF4 (0.48) ATF4LMNAGAAALDH1A1MEN1
SCHEMBL24322873 0.92 ATF4 (0.48) ATF4ALDH1A1
SCHEMBL24324506 0.92 ATF4 (0.48) ATF4LMNAGAAALDH1A1MEN1
SCHEMBL24322885 0.92 ATF4 (0.49) ATF4
SCHEMBL24324216 0.92 ATF4 (0.49) ATF4
SCHEMBL24322901 0.90 ATF4 (0.45) ATF4KMT2A

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
WO-2017193041-A1 MODULATORS OF THE INTEGRATED STRESS PATHWAY CALICO LIFE SCIENCES (US) 2017-11-09 — — WO disclosed
Send feedback