SCHEMBL22437046

SCHEMBL22437046

Cn1nc(C(F)F)cc1C(=O)NC12CCC(NC(=O)COc3ccc(Cl)c(Cl)c3)(CC1)C(O)C2

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ ATF4 P18848 11/20 0.37
▸ GBA1 P04062 1/20 0.35
▸ BACE1 P56817 1/20 0.33
▸ SIGMAR1 Q99720 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
SCHEMBL22612566 1.00 ALDH1A1 (0.38) ALDH1A1GAAATF4GBA1BACE1
SCHEMBL19556068 0.94 ATF4 (0.45) ATF4
SCHEMBL22437149 0.91 ATF4 (0.46) ATF4
SCHEMBL19555937 0.91 ATF4 (0.46) ATF4
SCHEMBL22628282 0.84 ATF4 (0.47) ATF4
SCHEMBL19555948 0.83 ATF4 (0.46) ATF4
SCHEMBL19555935 0.83 ATF4 (0.46) ATF4
SCHEMBL19555859 0.83 ATF4 (0.46) ATF4
SCHEMBL19556219 0.83 ATF4 (0.37) ALDH1A1GAAATF4
SCHEMBL22436967 0.83 ATF4 (0.39) ALDH1A1GAAATF4GBA1

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-3710428-A1 MODULATORS OF THE INTEGRATED STRESS PATHWAY Calico Life Sciences LLC (US) 2020-09-23 — — EP disclosed
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