SCHEMBL29955707

SCHEMBL29955707

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

nearest known ligand 0.72

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 13/20 0.72
▸ ERN1 O75460 2/20 0.44
▸ MEN1 O00255 1/20 0.43
▸ POLB P06746 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ TPST2 O60704 2/20 0.42
▸ SULT1E1 P49888 2/20 0.42
▸ MAOA P21397 2/20 0.41
▸ MAOB P27338 2/20 0.41
▸ PTPN2 P17706 2/20 0.38
▸ SIRT2 Q8IXJ6 2/20 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
SCHEMBL5358403 0.84 PTPN1 (1.00) PTPN1ERN1MEN1POLBKMT2A
SCHEMBL5708656 0.84 PTPN1 (1.00) PTPN1ERN1MEN1POLBKMT2A
SCHEMBL23887130 0.81 PTPN1 (0.72) PTPN1ERN1MEN1POLBKMT2A
SCHEMBL29956932 0.79 PTPN1 (0.68) PTPN1ERN1MEN1POLBKMT2A
SCHEMBL29246655 0.78 PTPN1 (0.43) PTPN1MEN1POLBKMT2ATPST2
SCHEMBL29956402 0.77 PTPN1 (0.65) PTPN1MEN1POLBKMT2ATPST2
SCHEMBL28262152 0.77 PTPN1 (0.65) PTPN1MEN1POLBKMT2ATPST2
SCHEMBL30307600 0.74 PTPN1 (0.62) PTPN1MEN1POLBKMT2AMAOA
SCHEMBL7027357 0.72 PTPN1 (0.60) PTPN1MEN1POLBKMT2AMAOA
SCHEMBL28295389 0.71 PTPN1 (0.78) PTPN1ERN1MEN1POLBKMT2A

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
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