SCHEMBL25804455

SCHEMBL25804455

CNC1(C)CC(NC(C)=O)C1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.39
ALDH1A1 P00352 5/20 0.37
KDM4E B2RXH2 2/20 0.37
ALOX15 P16050 1/20 0.36
GRM6 O15303 2/20 0.34
GRM2 Q14416 2/20 0.34
GRM3 Q14832 2/20 0.34
GRM8 O00222 1/20 0.34
MTNR1A P48039 1/20 0.33
MTNR1B P49286 1/20 0.33
RECQL P46063 1/20 0.33
GAA P10253 1/20 0.33
EPHX1 P07099 1/20 0.32
TLR4 O00206 1/20 0.31
POLB P06746 1/20 0.31

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
SCHEMBL18214762 0.77 ATM (0.42) ATMALDH1A1KDM4EALOX15GRM6
SCHEMBL12934632 0.75 TSHR (0.39) ATMALDH1A1KDM4EALOX15TLR4
SCHEMBL77511 0.74 RECQL (0.55) ATMALDH1A1KDM4ERECQLGAA
SCHEMBL16614406 0.74 ATM (0.39) ATMALDH1A1KDM4EALOX15GRM6
SCHEMBL9620230 0.74 ATM (0.39) ATMALDH1A1KDM4EALOX15GRM6
SCHEMBL25025784 0.74 ALOX15 (0.42) ATMALDH1A1KDM4EALOX15GRM6
SCHEMBL6604915 0.74 ATM (0.39) ATMALDH1A1KDM4EALOX15GRM6
SCHEMBL25024421 0.74 ALOX15 (0.42) ATMALDH1A1KDM4EALOX15GRM6
SCHEMBL30233576 0.74 ALOX15 (0.42) ATMALDH1A1KDM4EALOX15GRM6
SCHEMBL14904407 0.73 ATM (0.42) ATMALDH1A1KDM4EALOX15GRM6

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