SCHEMBL7041864

SCHEMBL7041864

CCc1ccc(C(=O)Nc2nc3c(OC)ccc(-c4cccs4)n3n2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 1/20 0.44
KDM4E B2RXH2 7/20 0.43
ALDH1A1 P00352 5/20 0.43
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MAPT P10636 7/20 0.42
SMN1; SMN2 Q16637 5/20 0.42
HPGD P15428 3/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
LMNA P02545 4/20 0.41
F2 P00734 2/20 0.41
TSHR P16473 2/20 0.41
MAPK1 P28482 2/20 0.41
HDAC1 Q13547 2/20 0.41
HDAC2 Q92769 2/20 0.41
PKM P14618 1/20 0.41
RXFP1 Q9HBX9 1/20 0.40
POLB P06746 3/20 0.40

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
SCHEMBL7146666 0.90 ALDH1A1 (0.53) HDAC6KDM4EALDH1A1KMT2AMEN1
SCHEMBL7042535 0.89 CYP1A2 (0.44) HDAC6KDM4EALDH1A1KMT2AMEN1
SCHEMBL7041685 0.89 GABRD (0.47) KDM4EALDH1A1KMT2AMEN1L3MBTL1
SCHEMBL7042500 0.89 MAPT (0.46) HDAC6KDM4EALDH1A1KMT2AMEN1
SCHEMBL7148818 0.85 KDM4E (0.42) KDM4EALDH1A1KMT2AMEN1L3MBTL1
SCHEMBL7148767 0.85 KDM4E (0.54) KDM4EMAPTSMN1; SMN2NPC1RAB9A
SCHEMBL7147869 0.83 NPC1 (0.56) KDM4EALDH1A1KMT2AMEN1L3MBTL1
SCHEMBL7043536 0.83 MAPT (0.48) KDM4EALDH1A1KMT2AMEN1L3MBTL1
SCHEMBL7145678 0.80 MAPT (0.44) KDM4EALDH1A1KMT2AMEN1MAPT
SCHEMBL7151229 0.80 KMT2A (0.51) HDAC6KDM4EALDH1A1KMT2AMEN1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1412352-A1 8-METHOXY-(1,2,4)TRIAZOLO(1,5-A)PYRIDINE DERIVATIVES AND THEIR USE AS ADENOSINE RECEPTOR LIGANDS F. HOFFMANN-LA ROCHE AG (CH) 2004-04-28 EP claimed
WO-2003010167-A1 8-METHOXY-(1,2,4)TRIAZOLO(1,5-A)PYRIDINE DERIVATIVES AND THEIR USE AS ADENOSINE RECEPTOR LIGANDS F. HOFFMANN-LA ROCHE AG (CH) 2003-02-06 WO claimed
US-6514989-B1 Has a good affinity to the adenosine receptor and can therefore be used for the treatment or protection of diseases mediated by this receptor HOFFMANN-LA ROCHE INC. 2003-02-04 US claimed
EP-1412352-A1 8-METHOXY-(1,2,4)TRIAZOLO(1,5-A)PYRIDINE DERIVATIVES AND THEIR USE AS ADENOSINE RECEPTOR LIGANDS F. HOFFMANN-LA ROCHE AG (CH) 2004-04-28 EP disclosed
WO-2003010167-A1 8-METHOXY-(1,2,4)TRIAZOLO(1,5-A)PYRIDINE DERIVATIVES AND THEIR USE AS ADENOSINE RECEPTOR LIGANDS F. HOFFMANN-LA ROCHE AG (CH) 2003-02-06 WO disclosed
US-6514989-B1 Has a good affinity to the adenosine receptor and can therefore be used for the treatment or protection of diseases mediated by this receptor HOFFMANN-LA ROCHE INC. 2003-02-04 US disclosed
US-6514989-B1 Has a good affinity to the adenosine receptor and can therefore be used for the treatment or protection of diseases mediated by this receptor HOFFMANN-LA ROCHE INC. 2003-02-04 US disclosed
US-6514989-B1 Has a good affinity to the adenosine receptor and can therefore be used for the treatment or protection of diseases mediated by this receptor HOFFMANN-LA ROCHE INC. 2003-02-04 US disclosed