SCHEMBL23033530

SCHEMBL23033530

CC(C)(F)C(=O)Nc1ccc2oc(-c3ccnc(C(=O)O)c3)nc2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 13/20 0.52
▸ KDM4E B2RXH2 12/20 0.52
▸ SMN1; SMN2 Q16637 6/20 0.52
▸ NPC1 O15118 5/20 0.52
▸ RAB9A P51151 5/20 0.52
▸ POLB P06746 5/20 0.52
▸ HSD17B10 Q99714 9/20 0.52
▸ HPGD P15428 8/20 0.52
▸ MAPT P10636 5/20 0.52
▸ NPSR1 Q6W5P4 3/20 0.52
▸ TSHR P16473 3/20 0.52
▸ MAPK1 P28482 3/20 0.52
▸ USP2 O75604 2/20 0.52
▸ RXFP1 Q9HBX9 2/20 0.50
▸ PPARG P37231 2/20 0.49
▸ LMNA P02545 2/20 0.49
▸ MEN1 O00255 1/20 0.49
▸ KMT2A Q03164 1/20 0.49
▸ L3MBTL1 Q9Y468 1/20 0.49
▸ NCOA2 Q15596 1/20 0.49

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
SCHEMBL29479624 0.90 MAPT (0.53) ALDH1A1KDM4ESMN1; SMN2NPC1RAB9A
SCHEMBL23012893 0.90 MAPT (0.53) ALDH1A1KDM4ESMN1; SMN2NPC1RAB9A
SCHEMBL29479597 0.86 NPC1 (0.70) ALDH1A1KDM4ESMN1; SMN2NPC1RAB9A
SCHEMBL23012175 0.86 NPC1 (0.70) ALDH1A1KDM4ESMN1; SMN2NPC1RAB9A
SCHEMBL23033325 0.84 ALDH1A1 (0.51) ALDH1A1KDM4ESMN1; SMN2NPC1RAB9A
SCHEMBL31165944 0.83 KDM4E (0.67) ALDH1A1KDM4ESMN1; SMN2NPC1RAB9A
SCHEMBL28701684 0.83 ALDH1A1 (0.71) ALDH1A1KDM4ESMN1; SMN2NPC1RAB9A
SCHEMBL23033375 0.82 NPC1 (0.47) ALDH1A1KDM4ESMN1; SMN2NPC1RAB9A
SCHEMBL29479819 0.81 ALDH1A1 (0.53) ALDH1A1KDM4ESMN1; SMN2NPC1RAB9A
SCHEMBL28935968 0.81 ALDH1A1 (0.53) ALDH1A1KDM4ESMN1; SMN2NPC1RAB9A

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 3 patents. 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
CN-114269725-A Anti-influenza virus compound and preparation method and application thereof 四川海思科制药有限公司 2022-04-01 — — CN disclosed
WO-2021032209-A1 ANTI-INFLUENZA VIRUS COMPOUND, PREPARATION METHOD AND USE THEREOF 四川海思科制药有限公司 2021-02-25 — — WO disclosed
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