SCHEMBL23012327

SCHEMBL23012327

O=C(O)c1cc(-c2nc3ccc(NC(=O)[C@@H]4C[C@@H]4F)cc3o2)ccn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CASP3 P42574 1/20 0.47
▸ SENP8 Q96LD8 1/20 0.47
▸ SENP7 Q9BQF6 1/20 0.47
▸ SENP6 Q9GZR1 1/20 0.47
▸ NPC1 O15118 4/20 0.47
▸ RAB9A P51151 4/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ SMN1; SMN2 Q16637 3/20 0.45
▸ NPSR1 Q6W5P4 3/20 0.45
▸ MAPT P10636 3/20 0.45
▸ HSD17B10 Q99714 2/20 0.45
▸ NAMPT P43490 1/20 0.43
▸ KDM4E B2RXH2 4/20 0.41
▸ ALDH1A1 P00352 4/20 0.41
▸ HPGD P15428 1/20 0.41
▸ ABL1 P00519 7/20 0.39
▸ KIT P10721 1/20 0.39
▸ RXFP1 Q9HBX9 1/20 0.39
▸ TSHR P16473 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
SCHEMBL23012294 0.92 ALDH1A1 (0.49) NPC1RAB9ASMN1; SMN2NPSR1MAPT
SCHEMBL30850818 0.92 ALDH1A1 (0.49) NPC1RAB9ASMN1; SMN2NPSR1MAPT
SCHEMBL23034199 0.86 NPC1 (0.44) CASP3SENP8SENP7SENP6NPC1
SCHEMBL23033959 0.82 CASP3 (0.70) CASP3SENP8SENP7SENP6NPC1
SCHEMBL29479590 0.82 MAPT (0.51) NPC1RAB9ASMN1; SMN2NPSR1MAPT
SCHEMBL23012967 0.82 MAPT (0.51) NPC1RAB9ASMN1; SMN2NPSR1MAPT
SCHEMBL23012765 0.82 MAPT (0.51) NPC1RAB9ASMN1; SMN2NPSR1MAPT
SCHEMBL23033557 0.81 CASP3 (0.51) CASP3SENP8SENP7SENP6NPC1
SCHEMBL23012167 0.81 TYK2 (0.39) ABL1KITTYK2
SCHEMBL23033451 0.78 NPC1 (0.59) NPC1RAB9ASMN1; SMN2NPSR1MAPT

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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