SCHEMBL25797236

SCHEMBL25797236

C=C(CCNC(=O)COc1ccc(Cl)c(F)c1)NC(=O)c1cnc(C)c(C)n1

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.44
▸ ATF4 P18848 12/20 0.40
▸ RXFP1 Q9HBX9 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ HDAC1 Q13547 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL22627670 0.94 ALDH1A1 (0.41) ALDH1A1ATF4RXFP1
SCHEMBL25796909 0.87 ALDH1A1 (0.46) ALDH1A1ATF4RXFP1HPGDHDAC1
SCHEMBL25801442 0.87 ALDH1A1 (0.51) ALDH1A1ATF4RXFP1HPGD
SCHEMBL22956352 0.86 ATF4 (0.43) ALDH1A1ATF4HDAC1
SCHEMBL22627735 0.85 ALDH1A1 (0.47) ALDH1A1ATF4RXFP1HPGDTDP1
SCHEMBL25802938 0.85 ALDH1A1 (0.44) ALDH1A1ATF4HPGD
SCHEMBL22956131 0.85 ALDH1A1 (0.43) ALDH1A1ATF4RXFP1HPGD
SCHEMBL25804869 0.85 ALDH1A1 (0.41) ALDH1A1ATF4RXFP1
SCHEMBL22956708 0.85 ATF4 (0.43) ALDH1A1ATF4
SCHEMBL22628057 0.85 ATF4 (0.46) ALDH1A1ATF4

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