SCHEMBL31165939

SCHEMBL31165939

CCC(=O)Nc1ccc2oc(-c3ccnc(C(=O)OC)c3)nc2c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 12/20 0.64
▸ HSD17B10 Q99714 11/20 0.64
▸ HPGD P15428 10/20 0.64
▸ ALDH1A1 P00352 9/20 0.64
▸ NPC1 O15118 6/20 0.64
▸ RAB9A P51151 6/20 0.64
▸ SMN1; SMN2 Q16637 5/20 0.64
▸ TP53 P04637 4/20 0.64
▸ CASP3 P42574 1/20 0.64
▸ SENP8 Q96LD8 1/20 0.64
▸ SENP7 Q9BQF6 1/20 0.64
▸ SENP6 Q9GZR1 1/20 0.64
▸ MAPT P10636 8/20 0.59
▸ POLB P06746 2/20 0.58
▸ RXFP1 Q9HBX9 1/20 0.56
▸ L3MBTL1 Q9Y468 2/20 0.56
▸ LMNA P02545 1/20 0.56
▸ NFKB1 P19838 1/20 0.56
▸ NFKB2 Q00653 1/20 0.56
▸ RELA Q04206 1/20 0.56

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
SCHEMBL23012520 1.00 KDM4E (0.64) KDM4EHSD17B10HPGDALDH1A1NPC1
SCHEMBL31165944 0.89 KDM4E (0.67) KDM4EHSD17B10HPGDALDH1A1NPC1
SCHEMBL23034143 0.88 MAPT (0.71) KDM4EHSD17B10HPGDALDH1A1NPC1
SCHEMBL23012147 0.87 ALDH1A1 (0.61) KDM4EHSD17B10HPGDALDH1A1NPC1
SCHEMBL29479671 0.85 KDM4E (0.52) KDM4EHSD17B10HPGDALDH1A1NPC1
SCHEMBL28706300 0.85 KDM4E (0.52) KDM4EHSD17B10HPGDALDH1A1NPC1
SCHEMBL23033654 0.85 MAPT (0.54) KDM4EHSD17B10HPGDALDH1A1NPC1
SCHEMBL23012893 0.84 MAPT (0.53) KDM4EHSD17B10HPGDALDH1A1NPC1
SCHEMBL23033327 0.84 MAPT (0.53) KDM4EHSD17B10HPGDALDH1A1NPC1
SCHEMBL29479624 0.84 MAPT (0.53) KDM4EHSD17B10HPGDALDH1A1NPC1

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
CN-114269725-B Anti-influenza virus compound, preparation method and application thereof 西藏海思科制药有限公司 2024-09-17 — — CN disclosed
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