SCHEMBL21352405

SCHEMBL21352405

COc1ccc(B(O)O)cc1Cn1ncccc1=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 4/20 0.39
▸ KMT2A Q03164 4/20 0.39
▸ MAPT P10636 5/20 0.36
▸ ALDH1A1 P00352 5/20 0.36
▸ NPSR1 Q6W5P4 2/20 0.36
▸ NPBWR1 P48145 2/20 0.36
▸ PTGER1 P34995 1/20 0.35
▸ HTT P42858 2/20 0.35
▸ LMNA P02545 2/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ ENPP2 Q13822 2/20 0.35
▸ PKM P14618 1/20 0.35
▸ PDE4A P27815 1/20 0.35
▸ PDE4B Q07343 1/20 0.35
▸ PDE4C Q08493 1/20 0.35
▸ PDE4D Q08499 1/20 0.35
▸ RXFP1 Q9HBX9 1/20 0.34
▸ TP53 P04637 1/20 0.34
▸ IDH1 O75874 1/20 0.33
▸ THRB P10828 1/20 0.33

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
SCHEMBL21352396 0.79 PKM (0.36) MEN1KMT2ALMNASMN1; SMN2PKM
SCHEMBL8502482 0.78 HPGD (0.48) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL8504693 0.75 L3MBTL1 (0.38) MEN1KMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL15330003 0.75 ALDH1A1 (0.40) MEN1KMT2AMAPTALDH1A1NPSR1
SCHEMBL8503177 0.74 POLB (0.38) MEN1KMT2AMAPTALDH1A1NPSR1
SCHEMBL21352389 0.74 ENPP2 (0.46) MEN1KMT2AALDH1A1NPSR1NPBWR1
SCHEMBL15331587 0.73 LMNA (0.56) MEN1KMT2AMAPTALDH1A1NPSR1
SCHEMBL15331854 0.72 PTGER1 (0.36) MEN1KMT2AMAPTALDH1A1NPSR1
SCHEMBL21396 0.72 ENPP2 (0.44) MEN1KMT2AALDH1A1ENPP2
SCHEMBL18529899 0.69 PDE4A (0.46) ENPP2PDE4APDE4BPDE4CPDE4D

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 2 patents. 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
EP-3540059-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES Nuevolution A/S (DK) 2019-09-18 — — EP disclosed
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