SCHEMBL24322876

SCHEMBL24322876

C=C(CCNC(=O)COc1ccc(Cl)c(F)c1)C(=O)NCc1ccc(Cl)cc1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ATF4 P18848 7/20 0.45
HTT P42858 1/20 0.44
ALDH1A1 P00352 1/20 0.43
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
SGMS1 Q86VZ5 1/20 0.42
LMNA P02545 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
GAA P10253 1/20 0.42
TAOK1 Q7L7X3 1/20 0.41
TAOK3 Q9H2K8 1/20 0.41
TP53 P04637 1/20 0.41
ADAMTS5 Q9UNA0 2/20 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
SCHEMBL24324507 0.94 LMNA (0.49) ATF4HTTALDH1A1SGMS1LMNA
SCHEMBL21116606 0.93 ATF4 (0.45) ATF4HTTALDH1A1LMNASMN1; SMN2
SCHEMBL24323059 0.92 GAA (0.53) ATF4HTTALDH1A1LMNAGAA
SCHEMBL24116960 0.92 TAOK1 (0.51) ATF4ALDH1A1SMN1; SMN2TAOK1TAOK3
SCHEMBL21117004 0.92 KMT2A (0.47) ATF4HTTALDH1A1CYP2C9CYP2C19
SCHEMBL21116655 0.91 TRPV1 (0.44) ATF4ALDH1A1LMNASMN1; SMN2GAA
SCHEMBL21116605 0.91 ADAMTS5 (0.43) ATF4ALDH1A1LMNASMN1; SMN2GAA
SCHEMBL24116642 0.90 ALDH1A1 (0.47) ATF4ALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL21116635 0.90 L3MBTL1 (0.44) ATF4ALDH1A1LMNASMN1; SMN2GAA
SCHEMBL21116656 0.89 HTT (0.52) ATF4HTTALDH1A1LMNAGAA

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