SCHEMBL11093143

SCHEMBL11093143

N#CSc1cc2ccccc2cc1C(=O)Cl

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.37
▸ MEN1 O00255 3/20 0.37
▸ KMT2A Q03164 3/20 0.37
▸ TDP1 Q9NUW8 2/20 0.37
▸ MITF O75030 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ NCOA1 Q15788 1/20 0.37
▸ NCOA3 Q9Y6Q9 1/20 0.37
▸ IDO1 P14902 1/20 0.36
▸ ALDH1A1 P00352 5/20 0.36
▸ HPGD P15428 4/20 0.36
▸ HTT P42858 3/20 0.36
▸ HSP90AA1 P07900 1/20 0.36
▸ ALOX15 P16050 2/20 0.35
▸ USP2 O75604 1/20 0.34
▸ USP8 P40818 1/20 0.34
▸ USP5 P45974 1/20 0.34
▸ USP4 Q13107 1/20 0.34
▸ USP7 Q93009 1/20 0.34
▸ POLB P06746 2/20 0.34

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
Hydrochloric Acid SCHEMBL11093147 0.83 IDO1 (0.47) MAPTMEN1KMT2AIDO1ALDH1A1
SCHEMBL11094258 0.83 KDM4E (0.45) MAPTMEN1KMT2ATDP1MITF
SCHEMBL5960318 0.79 ALDH1A1 (0.44) MAPTMEN1KMT2AGAAALDH1A1
SCHEMBL29752028 0.75 ALDH1A1 (0.50) MAPTMEN1KMT2ATDP1MITF
SCHEMBL1958554 0.75 ALDH1A1 (0.50) MAPTMEN1KMT2ATDP1MITF
SCHEMBL11095215 0.75 TSHR (0.39) MAPTMEN1KMT2AALDH1A1HPGD
SCHEMBL11094857 0.75 ALDH1A1 (0.39) MAPTMEN1KMT2AGAAALDH1A1
SCHEMBL18050194 0.73 HPGD (0.40) MAPTMEN1KMT2ATDP1MITF
SCHEMBL1889553 0.69 MEN1 (0.63) MAPTMEN1KMT2ATDP1MITF
SCHEMBL5261382 0.69 MAPT (0.44) MAPTMEN1KMT2ATDP1MITF

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
EP-0018100-B1 SUBSTITUTED AROMATIC BIOLOGICALLY ACTIVE COMPOUND, A PROCESS FOR ITS PREPARATION AND ITS USE AS BIOCIDE IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1984-01-18 — — EP disclosed
EP-0018100-A2 Substituted aromatic biologically active compound, a process for its preparation and its use as biocide IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1980-10-29 — — EP disclosed
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