SCHEMBL25810798

SCHEMBL25810798

C=C(CCNC(=O)c1nc(C)ccc1F)NC(=O)COc1ccc(Cl)c(F)c1

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ATF4 P18848 15/20 0.41
▸ ALDH1A1 P00352 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.39
▸ EGLN2 Q96KS0 1/20 0.39
▸ EGLN1 Q9GZT9 1/20 0.39
▸ CYP1A2 P05177 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36

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
SCHEMBL22956670 0.94 ALDH1A1 (0.45) ATF4ALDH1A1TDP1EGLN2EGLN1
SCHEMBL22956472 0.88 ATF4 (0.39) ATF4ALDH1A1TDP1
SCHEMBL22956512 0.88 EGLN2 (0.40) ATF4ALDH1A1EGLN2EGLN1
SCHEMBL25804558 0.85 ALDH1A1 (0.42) ATF4ALDH1A1TDP1
SCHEMBL25821098 0.85 ATF4 (0.42) ATF4ALDH1A1EGLN2EGLN1
SCHEMBL22956290 0.85 ATF4 (0.42) ATF4ALDH1A1EGLN2EGLN1
SCHEMBL22627982 0.85 ATF4 (0.43) ATF4ALDH1A1CYP1A2CYP3A4
SCHEMBL22956580 0.85 ATF4 (0.40) ATF4ALDH1A1EGLN2EGLN1
SCHEMBL20999623 0.84 ALDH1A1 (0.47) ATF4ALDH1A1TDP1
SCHEMBL22627706 0.84 ATF4 (0.42) ATF4ALDH1A1TDP1

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-3452456-B1 BICYCLIC MODULATORS OF THE INTEGRATED STRESS PATHWAY CALICO LIFE SCIENCES LLC (US) 2023-07-05 — — EP disclosed
Send feedback