SCHEMBL28299750

SCHEMBL28299750

COC(=O)c1cccc(-c2ccccc2)c1Cc1cccs1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.45
▸ SLC6A3 Q01959 3/20 0.44
▸ SLC6A4 P31645 2/20 0.44
▸ MEN1 O00255 6/20 0.42
▸ ALDH1A1 P00352 6/20 0.42
▸ KMT2A Q03164 6/20 0.42
▸ DNMT1 P26358 1/20 0.42
▸ POLB P06746 1/20 0.42
▸ TOP2A P11388 1/20 0.42
▸ GAA P10253 3/20 0.41
▸ MAPT P10636 2/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ USP2 O75604 1/20 0.41
▸ ALOX15 P16050 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ HPGD P15428 3/20 0.41
▸ LMNA P02545 1/20 0.41
▸ PRKCZ Q05513 1/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ CYP1A2 P05177 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
SCHEMBL28299745 0.85 CYP2C9 (0.50) TSHRMEN1KMT2APOLBALOX15
SCHEMBL28550466 0.78 SLC6A3 (0.53) TSHRSLC6A3SLC6A4MEN1ALDH1A1
SCHEMBL22261474 0.77 SLC6A3 (0.54) TSHRSLC6A3SLC6A4MEN1ALDH1A1
SCHEMBL13823879 0.77 SLC6A3 (0.55) TSHRSLC6A3SLC6A4MEN1ALDH1A1
SCHEMBL28577714 0.74 DNMT1 (0.46) TSHRMEN1ALDH1A1KMT2ADNMT1
SCHEMBL12546416 0.73 SLC6A3 (0.47) TSHRSLC6A3SLC6A4MEN1ALDH1A1
SCHEMBL22261504 0.73 L3MBTL1 (0.50) SLC6A3SLC6A4POLBTOP2AMAPT
SCHEMBL1775832 0.73 SLC6A3 (0.74) TSHRSLC6A3SLC6A4MEN1ALDH1A1
SCHEMBL27843639 0.73 SLC6A3 (0.74) TSHRSLC6A3SLC6A4MEN1ALDH1A1
SCHEMBL29057957 0.72 SLC6A3 (0.55) TSHRSLC6A3SLC6A4MEN1ALDH1A1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109721615-A Inhibitors of influenza viruses replication and application thereof 广东东阳光药业有限公司 2019-05-07 — — CN disclosed
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