SCHEMBL4429036

SCHEMBL4429036

O=c1ncc2ccc3cccnc3c2[nH]1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.50
LMNA P02545 5/20 0.50
TP53 P04637 4/20 0.50
KDM4E B2RXH2 2/20 0.50
CCR1 P32246 2/20 0.50
CCR5 P51681 2/20 0.50
CCR8 P51685 2/20 0.50
MMP2 P08253 2/20 0.50
TSHR P16473 2/20 0.50
GMNN O75496 1/20 0.50
HSP90AA1 P07900 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
MMP9 P14780 1/20 0.50
ALOX15 P16050 1/20 0.50
NFKB1 P19838 1/20 0.50
MMP8 P22894 1/20 0.50
THPO P40225 1/20 0.50
MTOR P42345 1/20 0.50
HTT P42858 1/20 0.50

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
SCHEMBL2423608 0.79 LMNA (0.33) MAPTLMNAKDM4EHTTPOLB
SCHEMBL29871779 0.79 MAPT (0.54) MAPTLMNATP53KDM4ECCR1
SCHEMBL6847092 0.79 MAPT (0.54) MAPTLMNATP53KDM4ECCR1
SCHEMBL5454156 0.77 MAPT (0.52) MAPTLMNATP53KDM4ECCR1
SCHEMBL1982985 0.77 CYP3A4 (0.47) MAPTLMNAKDM4EHSP90AA1CYP3A4
SCHEMBL1287815 0.75 MCL1 (0.46) KDM4ETSHRCYP3A4HTTSMN1; SMN2
SCHEMBL29486398 0.74 DAO (0.56)
SCHEMBL747250 0.74 DAO (0.56)
SCHEMBL29486393 0.74 DAO (0.56)
SCHEMBL5514516 0.73 MAPT (0.47) MAPTLMNATP53KDM4ECCR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2009001544-A PYRIDO[3,2-H]QUINAZOLINONES AND/OR 5,6-DIHYDRO DERIVATIVES THEREOF, METHOD FOR PRODUCING THE SAME AND DOPED ORGANIC SEMICONDUCTOR MATERIAL CONTAINING THE SAME NOVALED AG 2009-01-08 JP disclosed
EP-0944641-A1 NON-HELICAL SUPRAMOLECULAR NANOSYSTEMS Nanogen Recognomics GmbH (DE) 1999-09-29 EP disclosed
WO-1998025943-A1 NON-HELICAL SUPRAMOLECULAR NANOSYSTEMS AVENTIS RESEARCH & TECHNOLOGIES GMBH & CO KG (DE) 1998-06-18 WO disclosed