SCHEMBL31605951

SCHEMBL31605951

C[C@@H]1CN=C2N(Cc3cnn(C)c3)C(=O)c3cc(Br)ccc3N21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 2/20 0.37
▸ ALDH1A1 P00352 8/20 0.36
▸ ALDH3A1 P30838 6/20 0.36
▸ ALDH2 P05091 4/20 0.36
▸ PARG Q86W56 1/20 0.35
▸ CHRM1 P11229 1/20 0.34
▸ CHRM3 P20309 1/20 0.34
▸ GABRA1 P14867 1/20 0.33
▸ GABRG2 P18507 1/20 0.33
▸ GABRB3 P28472 1/20 0.33
▸ GABRA5 P31644 1/20 0.33
▸ GABRA3 P34903 1/20 0.33
▸ GABRA2 P47869 1/20 0.33
▸ GABRB2 P47870 1/20 0.33
▸ KCNH2 Q12809 1/20 0.33
▸ CHRM5 P08912 1/20 0.33
▸ CUL4A Q13619 1/20 0.32
▸ CES1 P23141 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ RXFP1 Q9HBX9 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
SCHEMBL26688636 0.85 CHRM1 (0.45) ALDH1A1ALDH3A1ALDH2PARGCHRM1
SCHEMBL26688648 0.85 CHRM1 (0.45) ALDH1A1ALDH3A1ALDH2PARGCHRM1
SCHEMBL26688697 0.85 PARG (0.40) PARGCHRM1CHRM3KCNH2CHRM5
SCHEMBL26688660 0.85 PARG (0.40) PARGCHRM1CHRM3KCNH2CHRM5
SCHEMBL31605812 0.82 MAOA (0.35) ALDH1A1PARGCHRM1CHRM3GABRA1
SCHEMBL26858136 0.81 CCNC (0.42) ALDH1A1PARG
SCHEMBL26688633 0.80 PARG (0.57) PARG
SCHEMBL26858139 0.78 PARG (0.46) PARG
SCHEMBL30757218 0.78 GABRA1 (0.41) ALDH1A1ALDH3A1ALDH2GABRA1GABRG2
SCHEMBL26688630 0.78 GABRA1 (0.41) ALDH1A1ALDH3A1ALDH2GABRA1GABRG2

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-2025111492-A1 INHIBITORS OF PARG 858 THERAPEUTICS, INC. (US) 2025-05-30 — — WO disclosed
Send feedback