SCHEMBL29954035

SCHEMBL29954035

O=Cc1coc2ccc(-c3ccccc3)cc2c1=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 12/20 1.00
▸ PTPN2 P17706 2/20 1.00
▸ MAOB P27338 4/20 0.64
▸ MAOA P21397 3/20 0.64
▸ POLB P06746 2/20 0.51
▸ MEN1 O00255 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ BCHE P06276 1/20 0.45
▸ ALOX5 P09917 1/20 0.45
▸ ALOX15 P16050 1/20 0.45
▸ ACHE P22303 1/20 0.45
▸ KDM4E B2RXH2 1/20 0.44
▸ HTT P42858 1/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ CYP2D6 P10635 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.43

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
Formylchromone SCHEMBL30783534 0.88 PTPN1 (1.00) PTPN1PTPN2MAOBMAOAPOLB
SCHEMBL127924 0.79 PTPN1 (1.00) PTPN1PTPN2MAOBMAOAPOLB
SCHEMBL29952282 0.79 PTPN1 (1.00) PTPN1PTPN2MAOBMAOAPOLB
SCHEMBL28990301 0.78 PTPN1 (0.64) PTPN1PTPN2MAOBPOLBKDM4E
SCHEMBL7025708 0.77 PTPN1 (0.86) PTPN1PTPN2MAOBMAOAPOLB
SCHEMBL23707495 0.76 PTPN1 (0.67) PTPN1PTPN2MAOBMAOAPOLB
SCHEMBL13978663 0.76 PTPN1 (1.00) PTPN1PTPN2MAOBMAOAPOLB
SCHEMBL911098 0.76 ALDH1A1 (0.68) PTPN1PTPN2MAOBMAOAMEN1
SCHEMBL5363245 0.76 PTPN1 (1.00) PTPN1PTPN2MAOBMAOAPOLB
SCHEMBL12174817 0.76 PTPN1 (0.67) PTPN1PTPN2MAOBMAOAPOLB

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
Send feedback