SCHEMBL30969327

SCHEMBL30969327

COCCN(CCOC)CCOc1cnc(C(N)=O)cn1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SIRT6 Q8N6T7 2/20 0.58
TMEM97 Q5BJF2 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
OXTR P30559 3/20 0.36
AVPR1A P37288 2/20 0.36
AVPR2 P30518 1/20 0.36
BACE1 P56817 8/20 0.36
NNMT P40261 3/20 0.36
CHEK2 O96017 1/20 0.34
ADORA3 P0DMS8 1/20 0.33
TSHR P16473 1/20 0.33
MC4R P32245 1/20 0.33
ADRA1A P35348 1/20 0.33
MC3R P41968 1/20 0.33
MKNK1 Q9BUB5 1/20 0.33
MKNK2 Q9HBH9 1/20 0.33

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
SCHEMBL19645365 0.86 SIRT6 (0.67) SIRT6BACE1NNMTCHEK2ADORA3
SCHEMBL30826969 0.78 SIRT6 (0.62) SIRT6BACE1NNMTCHEK2ADORA3
SCHEMBL2793061 0.75 SIRT6 (0.47) SIRT6ADRA1A
SCHEMBL1935667 0.75 SIRT6 (0.50) SIRT6BACE1
SCHEMBL19645364 0.75 SIRT6 (0.68) SIRT6BACE1NNMTADORA3TSHR
SCHEMBL3102878 0.74 SIRT6 (1.00) SIRT6BACE1NNMTADORA3TSHR
SCHEMBL15476644 0.72 SIRT6 (0.62) SIRT6BACE1NNMTADORA3TSHR
Formic Acid SCHEMBL2593977 0.71 SIRT6 (0.53) SIRT6TMEM97SIGMAR1BACE1NNMT
SCHEMBL2482296 0.70 SIRT6 (0.45) SIRT6OXTRAVPR1AAVPR2BACE1
SCHEMBL2516931 0.70 SIRT6 (0.45) SIRT6OXTRAVPR1AAVPR2BACE1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4642766-A1 COMPOUNDS AND METHODS FOR TREATING CANCER THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2025-11-05 EP disclosed
WO-2024145585-A1 COMPOUNDS AND METHODS FOR TREATING CANCER THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2024-07-04 WO disclosed