SCHEMBL29956932

SCHEMBL29956932

O=Cc1coc2c(CCl)cc(Cl)cc2c1=O

nearest known ligand 0.68

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 13/20 0.68
MEN1 O00255 1/20 0.41
POLB P06746 1/20 0.41
KMT2A Q03164 1/20 0.41
MAOA P21397 2/20 0.40
MAOB P27338 2/20 0.40
PTPN2 P17706 2/20 0.37
TPST2 O60704 2/20 0.36
SULT1E1 P49888 2/20 0.36
ERN1 O75460 1/20 0.33
PDE10A Q9Y233 1/20 0.32

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
SCHEMBL5708656 0.81 PTPN1 (1.00) PTPN1MEN1POLBKMT2AMAOA
SCHEMBL29955707 0.79 PTPN1 (0.72) PTPN1MEN1POLBKMT2AMAOA
SCHEMBL29956402 0.74 PTPN1 (0.65) PTPN1MEN1POLBKMT2AMAOA
SCHEMBL28262152 0.74 PTPN1 (0.65) PTPN1MEN1POLBKMT2AMAOA
SCHEMBL28295389 0.69 PTPN1 (0.78) PTPN1MEN1POLBKMT2AMAOA
SCHEMBL5363245 0.69 PTPN1 (1.00) PTPN1POLBKMT2AMAOAMAOB
SCHEMBL4121887 0.66 PTPN1 (0.45) PTPN1MEN1POLBKMT2AMAOA
SCHEMBL29958044 0.66 PTPN1 (0.77) PTPN1MEN1POLBKMT2AMAOA
SCHEMBL5358403 0.66 PTPN1 (1.00) PTPN1MEN1POLBKMT2AMAOA
SCHEMBL30307601 0.66 PTPN1 (0.62) PTPN1MEN1POLBKMT2AMAOA

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