SCHEMBL31465719

SCHEMBL31465719

O=C(NC1CC1)c1ccc(N2CCNCC2)c(Cl)n1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 2/20 0.43
SMYD3 Q9H7B4 5/20 0.42
PRKAA2 P54646 2/20 0.40
CHEK1 O14757 2/20 0.40
BACE1 P56817 1/20 0.40
PARP1 P09874 2/20 0.39
HDAC3 O15379 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39
HPGDS O60760 1/20 0.39
USP28 Q96RU2 3/20 0.39
USP25 Q9UHP3 2/20 0.39
MAPKAPK2 P49137 1/20 0.39

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
Hydrochloric Acid SCHEMBL31552854 0.99 SMYD3 (0.43) HSD11B1SMYD3PRKAA2CHEK1BACE1
SCHEMBL29085207 0.88 SCN9A (0.43) SMYD3PARP1HPGDSUSP28USP25
SCHEMBL29085203 0.88 SCN9A (0.43) SMYD3PARP1HPGDSUSP28USP25
SCHEMBL25235207 0.85 PARP1 (0.45) HSD11B1SMYD3CHEK1PARP1HDAC3
SCHEMBL30273150 0.85 PARP1 (0.45) HSD11B1SMYD3CHEK1PARP1HDAC3
SCHEMBL25323925 0.85 PARP1 (0.52) HSD11B1SMYD3PRKAA2CHEK1BACE1
Hydrochloric Acid SCHEMBL25320690 0.84 PARP1 (0.51) HSD11B1SMYD3PRKAA2CHEK1BACE1
Hydrochloric Acid SCHEMBL31552839 0.84 PARP1 (0.44) HSD11B1SMYD3CHEK1PARP1HDAC3
SCHEMBL22912708 0.83 PARP1 (0.49) CHEK1BACE1PARP1USP28USP25
SCHEMBL29396740 0.83 PARP1 (0.49) CHEK1BACE1PARP1USP28USP25

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-2025067417-A1 FUSED LACTAM RING COMPOUND AND USE THEREOF 成都赜灵生物医药科技有限公司 2025-04-03 WO disclosed