SCHEMBL31569008

SCHEMBL31569008

C=C(OCC)c1cc(C)cnc1CCNC(=O)OC(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NQO2 P16083 1/20 0.39
ALDH1A1 P00352 4/20 0.38
MAPT P10636 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
POLB P06746 1/20 0.37
NPSR1 Q6W5P4 2/20 0.37
HTT P42858 1/20 0.37
STK17B O94768 1/20 0.36
STK17A Q9UEE5 1/20 0.36
CA1 P00915 4/20 0.36
CA2 P00918 4/20 0.36
CA12 O43570 3/20 0.36
CA9 Q16790 3/20 0.36
GFER P55789 1/20 0.36
DYRK1A Q13627 1/20 0.36
ADORA3 P0DMS8 1/20 0.35
ADORA2A P29274 1/20 0.35
PTPRB P23467 1/20 0.35
KDM4E B2RXH2 1/20 0.35

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
SCHEMBL23854699 0.80 MTNR1B (0.41) NQO2ALDH1A1MAPTTDP1POLB
SCHEMBL31569504 0.79 TDP1 (0.41) NQO2ALDH1A1MAPTTDP1POLB
SCHEMBL28878071 0.75 ATR (0.46) NQO2ALDH1A1MAPTTDP1POLB
SCHEMBL31569039 0.75 LMNA (0.42) NQO2ALDH1A1MAPTNPSR1HTT
SCHEMBL31362427 0.72 AAK1 (0.40) NQO2ALDH1A1TDP1NPSR1HTT
SCHEMBL10178111 0.72 TDP1 (0.48) NQO2ALDH1A1MAPTTDP1POLB
SCHEMBL17688707 0.71 ATR (0.44) NQO2ALDH1A1MAPTNPSR1HTT
SCHEMBL2083332 0.71 ADORA2A (0.43) ALDH1A1MAPTSTK17BSTK17AADORA2A
SCHEMBL2129621 0.70 ALDH1A1 (0.49) NQO2ALDH1A1MAPTNPSR1HTT
SCHEMBL30392065 0.70 ALDH1A1 (0.51) ALDH1A1MAPTTDP1POLBHTT

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
WO-2025101780-A1 PHARMACOLOGICAL CORRECTORS OF RHODOPSIN AND USES THEREOF OCTANT, INC. (US) 2025-05-15 WO disclosed