SCHEMBL23033302

SCHEMBL23033302

CCOC(=O)c1cc(-c2nc3cc(Br)ccc3o2)ccn1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CETP P11597 2/20 0.48
▸ CEPT1 Q9Y6K0 1/20 0.48
▸ TARBP2 Q15633 1/20 0.47
▸ SMN1; SMN2 Q16637 5/20 0.46
▸ ALDH1A1 P00352 5/20 0.46
▸ MAPT P10636 9/20 0.45
▸ KDM4E B2RXH2 5/20 0.45
▸ HSD17B10 Q99714 5/20 0.45
▸ TP53 P04637 5/20 0.45
▸ RAB9A P51151 5/20 0.45
▸ HPGD P15428 4/20 0.45
▸ CASP3 P42574 2/20 0.45
▸ SENP8 Q96LD8 2/20 0.45
▸ SENP7 Q9BQF6 2/20 0.45
▸ SENP6 Q9GZR1 2/20 0.45
▸ TSHR P16473 1/20 0.45
▸ MAPK1 P28482 1/20 0.45
▸ HDAC6 Q9UBN7 2/20 0.44
▸ NPC1 O15118 4/20 0.41
▸ MEN1 O00255 1/20 0.41

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
SCHEMBL28698118 0.91 SMN1; SMN2 (0.49) CETPCEPT1TARBP2SMN1; SMN2ALDH1A1
SCHEMBL29479768 0.91 SMN1; SMN2 (0.49) CETPCEPT1TARBP2SMN1; SMN2ALDH1A1
SCHEMBL28698102 0.87 MAPT (0.50) CETPCEPT1SMN1; SMN2ALDH1A1MAPT
SCHEMBL29479632 0.86 MAPT (0.48) SMN1; SMN2ALDH1A1MAPTKDM4EHSD17B10
SCHEMBL28936297 0.86 MAPT (0.48) SMN1; SMN2ALDH1A1MAPTKDM4EHSD17B10
SCHEMBL28706421 0.84 CETP (0.56) CETPCEPT1HDAC6
SCHEMBL29479831 0.84 CETP (0.56) CETPCEPT1HDAC6
SCHEMBL29479837 0.83 RAB9A (0.41) TARBP2SMN1; SMN2ALDH1A1MAPTKDM4E
SCHEMBL23012965 0.83 RAB9A (0.41) TARBP2SMN1; SMN2ALDH1A1MAPTKDM4E
SCHEMBL29479729 0.83 MAPT (0.50) MAPTTP53HDAC6POLB

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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