SCHEMBL23012766

SCHEMBL23012766

CCOC(=O)c1cc(-c2nc3cc(-c4cncn4C(F)F)ccc3o2)ccn1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MMP2 P08253 1/20 0.40
▸ MMP13 P45452 1/20 0.40
▸ MMP14 P50281 1/20 0.40
▸ UTRN P46939 2/20 0.39
▸ MAPT P10636 11/20 0.39
▸ KDM4E B2RXH2 5/20 0.39
▸ RAB9A P51151 4/20 0.39
▸ ALDH1A1 P00352 3/20 0.39
▸ HPGD P15428 3/20 0.39
▸ HSD17B10 Q99714 3/20 0.39
▸ TP53 P04637 3/20 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
▸ TSHR P16473 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ RXFP1 Q9HBX9 3/20 0.37
▸ THRB P10828 1/20 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
SCHEMBL29479803 0.88 MMP2 (0.51) MMP2MMP13MMP14MAPTKDM4E
SCHEMBL23012957 0.88 MMP2 (0.51) MMP2MMP13MMP14MAPTKDM4E
SCHEMBL29479713 0.86 HDAC6 (0.39) UTRNMAPTKDM4ERAB9AALDH1A1
SCHEMBL23012735 0.86 HDAC6 (0.39) UTRNMAPTKDM4ERAB9AALDH1A1
SCHEMBL29479794 0.82 UTRN (0.40) UTRNMAPTKDM4ERAB9AALDH1A1
SCHEMBL23012099 0.82 UTRN (0.40) UTRNMAPTKDM4ERAB9AALDH1A1
SCHEMBL29479721 0.81 MAPT (0.41) UTRNMAPTKDM4ERAB9AALDH1A1
SCHEMBL23012088 0.81 MAPT (0.41) UTRNMAPTKDM4ERAB9AALDH1A1
SCHEMBL23012113 0.80 MMP2 (0.51) MMP2MMP13MMP14UTRNMAPT
SCHEMBL29479678 0.80 MMP2 (0.51) MMP2MMP13MMP14UTRNMAPT

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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