SCHEMBL26344131

SCHEMBL26344131

CC(C)n1c(=O)nc(NCc2ccc3c(c2)CCC3)[nH]c1=O

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ PDE2A O00408 2/20 0.45
▸ PDE9A O76083 8/20 0.39
▸ P2RX3 P56373 4/20 0.38
▸ ALDH1A1 P00352 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ PKM P14618 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL26345453 0.99 PDE2A (0.43) PDE2APDE9AP2RX3ALDH1A1MAPT
SCHEMBL26345338 0.95 PDE9A (0.40) PDE2APDE9AP2RX3LMNAHPGD
SCHEMBL26983383 0.89 P2RX3 (0.37) PDE2AP2RX3ALDH1A1LMNA
SCHEMBL26344125 0.83 PDE9A (0.45) PDE2APDE9AP2RX3LMNA
SCHEMBL30459333 0.79 CYP3A4 (0.39) PDE2APDE9AP2RX3ALDH1A1MAPT
SCHEMBL26344132 0.79 CYP3A4 (0.39) PDE2APDE9AP2RX3ALDH1A1MAPT
SCHEMBL31363880 0.79 PARP1 (0.40) PDE2APDE9AP2RX3ALDH1A1MAPT
SCHEMBL31364035 0.79 CYP3A4 (0.39) PDE2APDE9AP2RX3ALDH1A1MAPT
SCHEMBL26344141 0.79 PARP1 (0.40) PDE2APDE9AP2RX3ALDH1A1MAPT
SCHEMBL29588283 0.74 CYP3A4 (0.40) PDE2APDE9AP2RX3ALDH1A1LMNA

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
EP-4249474-A1 TRIAZINE DIONE DERIVATIVE, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF IN MEDICINE Jiangsu Hengrui Pharmaceuticals Co., Ltd. (CN) 2023-09-27 — — EP disclosed
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