SCHEMBL30077375

SCHEMBL30077375

CN1C(=O)/C(=C2/C(=O)N(C)c3ccccc32)c2ccccc21

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TTR P02766 4/20 0.69
▸ CES1 P23141 1/20 0.69
▸ MAPT P10636 4/20 0.58
▸ ALDH1A1 P00352 3/20 0.58
▸ HPGD P15428 2/20 0.58
▸ MEN1 O00255 1/20 0.58
▸ KMT2A Q03164 1/20 0.58
▸ RAB9A P51151 3/20 0.53
▸ NPC1 O15118 2/20 0.53
▸ TRPA1 O75762 1/20 0.53
▸ MTOR P42345 1/20 0.53
▸ EPHX2 P34913 2/20 0.51
▸ TDP1 Q9NUW8 2/20 0.50
▸ CASP3 P42574 2/20 0.50
▸ LRRK2 Q5S007 1/20 0.50
▸ DRD2 P14416 1/20 0.50
▸ HTR6 P50406 1/20 0.50
▸ NPSR1 Q6W5P4 1/20 0.50
▸ MAPK1 P28482 1/20 0.49
▸ L3MBTL1 Q9Y468 1/20 0.49

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
SCHEMBL13039623 1.00 TTR (0.69) TTRCES1MAPTALDH1A1HPGD
SCHEMBL16127516 0.86 TTR (0.75) TTRCES1MAPTALDH1A1HPGD
SCHEMBL17886240 0.84 TTR (0.51) TTRCES1MAPTALDH1A1HPGD
Meisoindigo SCHEMBL24186711 0.83 TTR (0.50) TTRCES1MAPTALDH1A1HPGD
Meisoindigo SCHEMBL13299737 0.83 TTR (0.50) TTRCES1MAPTALDH1A1HPGD
Meisoindigo SCHEMBL130855 0.83 TTR (0.50) TTRCES1MAPTALDH1A1HPGD
Meisoindigo SCHEMBL29361307 0.83 TTR (0.50) TTRCES1MAPTALDH1A1HPGD
SCHEMBL12059596 0.82 TTR (0.69) TTRCES1MAPTALDH1A1HPGD
SCHEMBL126628 0.82 CES1 (1.00) TTRCES1ALDH1A1MEN1KMT2A
SCHEMBL28252336 0.82 CES1 (1.00) TTRCES1ALDH1A1MEN1KMT2A

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
US-20220365074-A1 METHODS AND SYSTEMS FOR DETERMINING VIRUSES SUCH AS CORONAVIRUSES USING pH ANALIZA, INC. (US) 2022-11-17 — — US disclosed
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