SCHEMBL25813464

SCHEMBL25813464

C=C(CCNC(=O)c1ccc(C(F)(F)F)nc1)NC(=O)COc1ccc(Cl)c(F)c1

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ATF4 P18848 13/20 0.41
▸ TDP1 Q9NUW8 1/20 0.40
▸ TRPV1 Q8NER1 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ SCN9A Q15858 3/20 0.38
▸ SCN10A Q9Y5Y9 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
SCHEMBL22956197 0.90 ATF4 (0.43) ATF4SCN9A
SCHEMBL22956229 0.88 TDP1 (0.42) ATF4TDP1TRPV1L3MBTL1
SCHEMBL25812812 0.88 TRPV1 (0.45) ATF4TDP1TRPV1L3MBTL1
SCHEMBL22956150 0.88 ATF4 (0.41) ATF4SCN9ASCN10A
SCHEMBL25819800 0.87 ATF4 (0.45) ATF4TRPV1L3MBTL1
SCHEMBL22627577 0.86 KMT2A (0.43) ATF4TDP1TRPV1L3MBTL1SCN9A
SCHEMBL22956204 0.86 TDP1 (0.40) ATF4TDP1TRPV1L3MBTL1
SCHEMBL25798242 0.85 TRPV1 (0.57) ATF4TRPV1L3MBTL1
SCHEMBL25804962 0.85 ALDH1A1 (0.44) ATF4TDP1TRPV1L3MBTL1
SCHEMBL25821006 0.85 ATF4 (0.41) ATF4TDP1L3MBTL1

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
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