Sugi Predict

Sugi Predict / Compounds / SCHEMBL25821006

SCHEMBL25821006

SCHEMBL25821006

C=C(CCNC(=O)c1ccnnc1)NC(=O)COc1ccc(Cl)c(F)c1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ATF4 P18848 12/20 0.41
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ RXFP1 Q9HBX9 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ HDAC3 O15379 1/20 0.38
▸ HDAC1 Q13547 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ USP2 O75604 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
SCHEMBL22627701 0.94 ALDH1A1 (0.41) ATF4MEN1KMT2ARXFP1TDP1
SCHEMBL25819800 0.87 ATF4 (0.45) ATF4L3MBTL1
SCHEMBL22956229 0.87 TDP1 (0.42) ATF4MEN1KMT2ARXFP1L3MBTL1
SCHEMBL22956480 0.85 ATF4 (0.44) ATF4L3MBTL1
SCHEMBL25804962 0.85 ALDH1A1 (0.44) ATF4MEN1KMT2AL3MBTL1TDP1
SCHEMBL22956222 0.85 MEN1 (0.41) ATF4MEN1KMT2ARXFP1
SCHEMBL22627886 0.85 ATF4 (0.41) ATF4MEN1KMT2AL3MBTL1
SCHEMBL22956465 0.85 ATF4 (0.41) ATF4MEN1KMT2ARXFP1L3MBTL1
SCHEMBL22956204 0.85 TDP1 (0.40) ATF4MEN1KMT2AL3MBTL1TDP1
SCHEMBL22956184 0.85 ALDH1A1 (0.43) ATF4MEN1KMT2AHDAC3HDAC1

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