SCHEMBL23012864

SCHEMBL23012864

CCOC(=O)c1cc(-c2nc3cc(-c4nn[nH]n4)ccc3o2)ccn1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4D Q6B0I6 1/20 0.45
▸ HDAC6 Q9UBN7 1/20 0.42
▸ MAPT P10636 10/20 0.41
▸ PPARG P37231 1/20 0.41
▸ PPARD Q03181 1/20 0.41
▸ PPARA Q07869 1/20 0.41
▸ RXFP1 Q9HBX9 2/20 0.40
▸ TP53 P04637 4/20 0.39
▸ RAB9A P51151 3/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ CASP3 P42574 2/20 0.39
▸ SENP8 Q96LD8 2/20 0.39
▸ SENP7 Q9BQF6 2/20 0.39
▸ SENP6 Q9GZR1 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ HSD17B10 Q99714 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
SCHEMBL29479822 1.00 KDM4D (0.45) KDM4DHDAC6MAPTPPARGPPARD
SCHEMBL29479789 0.82 MAPT (0.41) MAPTRXFP1TP53RAB9ASMN1; SMN2
SCHEMBL28710720 0.82 MAPT (0.41) MAPTRXFP1TP53RAB9ASMN1; SMN2
SCHEMBL28936297 0.81 MAPT (0.48) HDAC6MAPTRXFP1TP53RAB9A
SCHEMBL29479632 0.81 MAPT (0.48) HDAC6MAPTRXFP1TP53RAB9A
SCHEMBL23033302 0.80 CETP (0.48) HDAC6MAPTTP53RAB9ASMN1; SMN2
SCHEMBL23034206 0.79 MAPT (0.41) MAPTRXFP1TP53RAB9ASMN1; SMN2
SCHEMBL23012088 0.79 MAPT (0.41) MAPTRXFP1TP53RAB9ASMN1; SMN2
SCHEMBL23012965 0.79 RAB9A (0.41) HDAC6MAPTRXFP1TP53RAB9A
SCHEMBL23033310 0.79 PIM1 (0.44) MAPTRXFP1TP53RAB9ASMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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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