SCHEMBL38664296

SCHEMBL38664296

C[C@@H](N)c1nc2c(Cl)cccc2[nH]1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 9/20 0.60
PSMB8 P28062 1/20 0.49
NUDT1 P36639 1/20 0.42
ADORA1 P30542 2/20 0.41
ADORA3 P0DMS8 1/20 0.41
MGAM O43451 1/20 0.41
GAA P10253 1/20 0.41
SI P14410 1/20 0.41
MGAM2 Q2M2H8 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
NFKB1 P19838 1/20 0.41
PNMT P11086 1/20 0.41
MAOB P27338 1/20 0.40
ADORA2A P29274 1/20 0.40
ADORA2B P29275 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
GLA P06280 1/20 0.40

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
SCHEMBL1272228 0.86 PSMB8 (0.51) PARP1PSMB8NUDT1ADORA1ADORA3
SCHEMBL20252448 0.83 PSMB8 (0.49) PARP1PSMB8NUDT1ADORA1ADORA3
SCHEMBL20900188 0.80 PARP1 (0.60) PARP1MGAMGAASIMGAM2
SCHEMBL20900183 0.80 PARP1 (0.60) PARP1MGAMGAASIMGAM2
SCHEMBL28810281 0.75 PARP1 (1.00) PARP1
SCHEMBL3092602 0.75 PARP1 (1.00) PARP1
SCHEMBL28809289 0.75 PARP1 (1.00) PARP1
SCHEMBL8265192 0.73 PARP1 (0.59) PARP1PSMB8NUDT1ADORA1ADORA3
SCHEMBL215756 0.73 NUDT1 (0.70) PSMB8NUDT1ADORA1ADORA3MGAM
SCHEMBL1170768 0.72 ADORA1 (0.61) PARP1PSMB8NUDT1ADORA1ADORA3

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-2026101698-A1 HEPCIDIN MIMETIC COMPOUNDS AND USES THEREOF PROTAGONIST THERAPEUTICS, INC. (US) 2026-05-15 WO disclosed