SCHEMBL29952901

SCHEMBL29952901

O=Cc1coc2cc(Cl)c(Cl)cc2c1=O

nearest known ligand 0.77

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 14/20 0.77
MAOA P21397 3/20 0.54
MAOB P27338 3/20 0.54
PTPN2 P17706 2/20 0.53
BCHE P06276 1/20 0.44
ALOX5 P09917 1/20 0.44
ALOX15 P16050 1/20 0.44
ACHE P22303 1/20 0.44
POLB P06746 2/20 0.43
DAO P14920 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38

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
SCHEMBL5377350 0.87 PTPN1 (1.00) PTPN1MAOAMAOBPTPN2BCHE
SCHEMBL29958044 0.79 PTPN1 (0.77) PTPN1MAOAMAOBPTPN2POLB
SCHEMBL5363245 0.79 PTPN1 (1.00) PTPN1MAOAMAOBPTPN2POLB
SCHEMBL29757393 0.79 PTPN1 (0.66) PTPN1MAOAMAOBPTPN2BCHE
SCHEMBL4044019 0.79 PTPN1 (0.77) PTPN1MAOAMAOBPTPN2BCHE
SCHEMBL31292056 0.79 PTPN1 (0.77) PTPN1MAOAMAOBPTPN2BCHE
SCHEMBL26611784 0.79 PTPN1 (0.66) PTPN1MAOAMAOBPTPN2BCHE
SCHEMBL11618980 0.78 PTPN1 (0.54) PTPN1MAOAMAOBPTPN2BCHE
SCHEMBL11869457 0.76 PTPN1 (0.65) PTPN1MAOAMAOBPTPN2BCHE
SCHEMBL11252346 0.75 PTPN1 (0.54) PTPN1MAOAMAOBPTPN2BCHE

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-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed