SCHEMBL24322841

SCHEMBL24322841

Cc1cccc(CNC(=O)C23CC(C2)[C@@H](NC(=O)COc2ccc(Cl)c(F)c2)C3)c1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ATF4 P18848 10/20 0.44
▸ MEN1 O00255 1/20 0.40
▸ NPY1R P25929 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ LMNA P02545 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ RAB9A P51151 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ TAOK1 Q7L7X3 1/20 0.38
▸ TAOK3 Q9H2K8 1/20 0.38
▸ P2RX7 Q99572 1/20 0.37

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
SCHEMBL24324526 0.92 ATF4 (0.45) ATF4HTTTAOK1TAOK3P2RX7
SCHEMBL24323279 0.91 ATF4 (0.47) ATF4KMT2ARAB9AKDM4EALDH1A1
SCHEMBL24322860 0.90 ATF4 (0.44) ATF4HTTTAOK1TAOK3P2RX7
SCHEMBL24323038 0.90 ATF4 (0.48) ATF4TAOK1TAOK3
SCHEMBL19577455 0.89 ATF4 (0.43) ATF4HTT
SCHEMBL24323366 0.89 ATF4 (0.43) ATF4HTT
SCHEMBL19577329 0.87 ATF4 (0.44) ATF4RAB9A
SCHEMBL24323329 0.87 ATF4 (0.46) ATF4MEN1KMT2AALDH1A1MAPT
SCHEMBL24324289 0.87 ATF4 (0.44) ATF4MEN1KMT2ARAB9AALDH1A1
SCHEMBL19577428 0.87 ATF4 (0.44) ATF4MEN1KMT2ARAB9AALDH1A1

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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