SCHEMBL22025141

SCHEMBL22025141

CNc1ccc(C)cc1SC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.42
▸ PKM P14618 1/20 0.42
▸ KMT2A Q03164 5/20 0.40
▸ MEN1 O00255 4/20 0.40
▸ HPGD P15428 2/20 0.40
▸ LMNA P02545 1/20 0.40
▸ TP53 P04637 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ ALOX15 P16050 1/20 0.40
▸ ALOX12 P18054 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ ALDH1A1 P00352 3/20 0.39
▸ RAPGEF4 Q8WZA2 2/20 0.38
▸ ADRA2A P08913 1/20 0.36
▸ ADRA2B P18089 1/20 0.36
▸ ADRA2C P18825 1/20 0.36
▸ ADRA1D P25100 1/20 0.36
▸ ADRA1A P35348 1/20 0.36
▸ ADRA1B P35368 1/20 0.36
▸ NPC1 O15118 1/20 0.35

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
SCHEMBL13689479 0.84 ADRA2A (0.45) MAPTPKMKMT2AMEN1HPGD
SCHEMBL10655616 0.80 PLK1 (0.35) MAPTKMT2AMEN1HPGDLMNA
SCHEMBL25455606 0.78 CCR2 (0.36) MAPTKMT2AMEN1LMNAGAA
SCHEMBL27049091 0.78 CCR2 (0.36) MAPTPKM
SCHEMBL28846956 0.78 ALDH1A1 (0.46) MAPTKMT2AMEN1HPGDLMNA
Hydrochloric Acid SCHEMBL6712800 0.77 ADRA2A (0.46) MAPTKMT2AMEN1LMNAALOX12
SCHEMBL31222335 0.77 L3MBTL1 (0.44) MAPTPKMKMT2AMEN1HPGD
SCHEMBL12889181 0.75 HPGD (0.45) KMT2AMEN1HPGDTP53GAA
SCHEMBL23016949 0.75 MAPT (0.39) MAPTPKMKMT2AMEN1HPGD
SCHEMBL20112866 0.75 MAPT (0.42) MAPTPKMKMT2AMEN1HPGD

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
EP-3656781-A1 A METHOD FOR THE SITE-SPECIFIC ENZYMATIC LABELLING OF NUCLEIC ACIDS IN VITRO BY INCORPORATION OF UNNATURAL NUCLEOTIDES The Scripps Research Institute (US) 2020-05-27 — — EP disclosed
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