SCHEMBL31165944

SCHEMBL31165944

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

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 13/20 0.67
▸ HSD17B10 Q99714 12/20 0.67
▸ ALDH1A1 P00352 11/20 0.67
▸ HPGD P15428 10/20 0.67
▸ SMN1; SMN2 Q16637 7/20 0.67
▸ NPC1 O15118 5/20 0.67
▸ RAB9A P51151 5/20 0.67
▸ TP53 P04637 4/20 0.67
▸ CASP3 P42574 1/20 0.66
▸ SENP8 Q96LD8 1/20 0.66
▸ SENP7 Q9BQF6 1/20 0.66
▸ SENP6 Q9GZR1 1/20 0.66
▸ MAPT P10636 5/20 0.61
▸ CHIA Q9BZP6 1/20 0.59
▸ LMNA P02545 1/20 0.58
▸ NFKB1 P19838 1/20 0.58
▸ NFKB2 Q00653 1/20 0.58
▸ RELA Q04206 1/20 0.58
▸ L3MBTL1 Q9Y468 1/20 0.58
▸ POLB P06746 4/20 0.57

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
SCHEMBL31165939 0.89 KDM4E (0.64) KDM4EHSD17B10ALDH1A1HPGDSMN1; SMN2
SCHEMBL23012520 0.89 KDM4E (0.64) KDM4EHSD17B10ALDH1A1HPGDSMN1; SMN2
SCHEMBL29479597 0.88 NPC1 (0.70) KDM4EHSD17B10ALDH1A1HPGDSMN1; SMN2
SCHEMBL23012175 0.88 NPC1 (0.70) KDM4EHSD17B10ALDH1A1HPGDSMN1; SMN2
SCHEMBL29479819 0.85 ALDH1A1 (0.53) KDM4EHSD17B10ALDH1A1HPGDSMN1; SMN2
SCHEMBL28935968 0.85 ALDH1A1 (0.53) KDM4EHSD17B10ALDH1A1HPGDSMN1; SMN2
SCHEMBL28701684 0.85 ALDH1A1 (0.71) KDM4EHSD17B10ALDH1A1HPGDSMN1; SMN2
SCHEMBL2240780 0.84 CHIA (0.79) KDM4EHSD17B10ALDH1A1HPGDSMN1; SMN2
SCHEMBL23033451 0.84 NPC1 (0.59) KDM4EHSD17B10ALDH1A1HPGDSMN1; SMN2
SCHEMBL23033530 0.83 ALDH1A1 (0.52) KDM4EHSD17B10ALDH1A1HPGDSMN1; SMN2

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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