SCHEMBL24322856

SCHEMBL24322856

NS(=O)(=O)c1ccc(CCNC(=O)C23CC(C2)[C@@H](NC(=O)COc2ccc(Cl)c(F)c2)C3)cc1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.48
▸ CA1 P00915 10/20 0.47
▸ CA2 P00918 10/20 0.47
▸ CA12 O43570 6/20 0.47
▸ CA4 P22748 3/20 0.47
▸ CA5A P35218 3/20 0.47
▸ CA7 P43166 3/20 0.47
▸ CA5B Q9Y2D0 3/20 0.47
▸ POLB P06746 2/20 0.47
▸ ATF4 P18848 3/20 0.45
▸ LMNA P02545 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ CA9 Q16790 4/20 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
SCHEMBL24323095 0.90 ATF4 (0.47) ATF4LMNAMAPT
SCHEMBL19577449 0.90 ATF4 (0.47) ATF4LMNAMAPT
SCHEMBL24322893 0.84 ALDH1A1 (0.48) ALDH1A1CA1CA2CA12CA4
SCHEMBL19577477 0.83 ATF4 (0.53) ALDH1A1CA1CA2CA12CA4
SCHEMBL24323038 0.82 ATF4 (0.48) ATF4
SCHEMBL24324573 0.82 ATF4 (0.47) ATF4
SCHEMBL24323279 0.81 ATF4 (0.47) ALDH1A1ATF4MAPTSMN1; SMN2
SCHEMBL24324336 0.81 ATF4 (0.44) ATF4
SCHEMBL24323329 0.80 ATF4 (0.46) ALDH1A1POLBATF4MAPT
SCHEMBL19577479 0.80 ATF4 (0.47) ALDH1A1CA1CA2CA12CA4

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
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