SCHEMBL29952282

SCHEMBL29952282

O=Cc1coc2ccccc2c1=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 11/20 1.00
▸ MAOB P27338 6/20 1.00
▸ MAOA P21397 5/20 1.00
▸ PTPN2 P17706 2/20 0.64
▸ POLB P06746 2/20 0.61
▸ PTGS2 P35354 1/20 0.59
▸ MEN1 O00255 1/20 0.58
▸ KMT2A Q03164 1/20 0.58
▸ ALDH1A1 P00352 3/20 0.58
▸ MAPT P10636 3/20 0.58
▸ KDM4E B2RXH2 1/20 0.58
▸ GAA P10253 1/20 0.54
▸ HTT P42858 1/20 0.54

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
SCHEMBL127924 1.00 PTPN1 (1.00) PTPN1MAOBMAOAPTPN2POLB
Thiosemicarbazide SCHEMBL28340570 0.86 PTPN1 (0.74) PTPN1MAOBMAOAPTPN2POLB
SCHEMBL7025708 0.86 PTPN1 (0.86) PTPN1MAOBMAOAPTPN2POLB
SCHEMBL30842883 0.86 PTPN1 (0.75) PTPN1MAOBMAOAPTPN2POLB
SCHEMBL96940 0.86 PTPN1 (0.75) PTPN1MAOBMAOAPTPN2POLB
SCHEMBL1102245 0.83 MAOB (0.71) PTPN1MAOBMAOAPTGS2MEN1
SCHEMBL28874629 0.83 MAOB (0.71) PTPN1MAOBMAOAPTGS2ALDH1A1
SCHEMBL1305130 0.83 MAOB (0.71) PTPN1MAOBMAOAPTGS2KMT2A
SCHEMBL28132715 0.82 MAOB (0.70) PTPN1MAOBMAOAPTPN2POLB
SCHEMBL9618067 0.79 PTPN1 (0.66) PTPN1MAOBMAOAPTPN2POLB

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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