SCHEMBL28711037

SCHEMBL28711037

Cc1c(-c2ccc3oc(-c4ccnc(C=O)c4)nc3c2)cnn1C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 7/20 0.38
▸ ALDH1A1 P00352 6/20 0.38
▸ RAB9A P51151 6/20 0.38
▸ SMN1; SMN2 Q16637 5/20 0.38
▸ NPC1 O15118 5/20 0.38
▸ HPGD P15428 5/20 0.38
▸ HSD17B10 Q99714 3/20 0.38
▸ TP53 P04637 2/20 0.38
▸ MAPT P10636 4/20 0.36
▸ CASP3 P42574 2/20 0.36
▸ SENP8 Q96LD8 2/20 0.36
▸ SENP7 Q9BQF6 2/20 0.36
▸ SENP6 Q9GZR1 2/20 0.36
▸ NPSR1 Q6W5P4 2/20 0.36
▸ HCRTR1 O43613 1/20 0.36
▸ USP2 O75604 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ NFKB1 P19838 2/20 0.36
▸ NFKB2 Q00653 2/20 0.36

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
SCHEMBL23012526 0.84 ALDH1A1 (0.47) KDM4EALDH1A1RAB9ASMN1; SMN2NPC1
SCHEMBL29479644 0.84 ALDH1A1 (0.47) KDM4EALDH1A1RAB9ASMN1; SMN2NPC1
SCHEMBL28713414 0.83 NPC1 (0.39) KDM4EALDH1A1RAB9ASMN1; SMN2NPC1
SCHEMBL28707207 0.81 PIM1 (0.44) KDM4EALDH1A1RAB9ASMN1; SMN2NPC1
SCHEMBL28713881 0.80 ALDH1A1 (0.39) KDM4EALDH1A1RAB9ASMN1; SMN2NPC1
SCHEMBL28698097 0.80 NPC1 (0.36) KDM4EALDH1A1RAB9ASMN1; SMN2NPC1
SCHEMBL28710708 0.80 KDM4E (0.40) KDM4EALDH1A1RAB9ASMN1; SMN2NPC1
SCHEMBL29479687 0.80 HPSE (0.39) KDM4EALDH1A1RAB9ASMN1; SMN2NPC1
SCHEMBL28707166 0.80 HPSE (0.39) KDM4EALDH1A1RAB9ASMN1; SMN2NPC1
SCHEMBL28935977 0.78 PIK3CB (0.37) KDM4EALDH1A1RAB9ASMN1; SMN2NPC1

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 2 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
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