SCHEMBL4708000

SCHEMBL4708000

CCOC(=O)Oc1cc2c(C)cccc2[nH]1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DAO P14920 1/20 0.48
DDO Q99489 1/20 0.48
KDM4E B2RXH2 6/20 0.45
ALDH1A1 P00352 4/20 0.45
MAPT P10636 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
HCRTR1 O43613 2/20 0.45
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
RAB9A P51151 1/20 0.45
FLT3 P36888 3/20 0.42
PDGFRB P09619 1/20 0.42
KIT P10721 1/20 0.42
GABRP O00591 1/20 0.41
GABRD O14764 1/20 0.41
NPC1 O15118 1/20 0.41
PDE5A O76074 1/20 0.41
LMNA P02545 1/20 0.41
GABRA1 P14867 1/20 0.41
GABRB1 P18505 1/20 0.41

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
SCHEMBL18886845 0.87 CA12 (0.45) DAODDOKDM4EALDH1A1MAPT
SCHEMBL4705953 0.87 DAO (0.47) DAODDOKDM4EALDH1A1MAPT
SCHEMBL9263841 0.86 DAO (0.46) DAOKDM4EALDH1A1MAPTSMN1; SMN2
SCHEMBL18886870 0.86 KDM4E (0.43) KDM4EALDH1A1MAPTSMN1; SMN2HCRTR1
SCHEMBL3420884 0.83 DAO (0.51) DAODDOKDM4EALDH1A1MAPT
SCHEMBL5260106 0.79 KDM4E (0.48) DAOKDM4EALDH1A1MAPTSMN1; SMN2
Hydrochloric Acid SCHEMBL6984470 0.78 KDM4E (0.47) DAOKDM4EALDH1A1MAPTSMN1; SMN2
SCHEMBL701020 0.78 KDM4E (0.57) DAODDOKDM4EALDH1A1MAPT
SCHEMBL4707549 0.77 HCRTR1 (0.47) KDM4EALDH1A1MAPTSMN1; SMN2HCRTR1
SCHEMBL9234415 0.75 DAO (0.48) DAOKDM4EALDH1A1MAPTSMN1; SMN2

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
EP-1625129-B1 HETEROCYCLYL-SUBSTITUTED DIHYDROQUINAZOLINES AND USE THEREOF AS AN ANTIVIRAL AGENT BAYER HEALTHCARE AG (DE) 2008-03-05 EP disclosed
EP-1625129-A1 HETEROCYCLYL-SUBSTITUTED DIHYDROQUINAZOLINES AND USE THEREOF AS AN ANTIVIRAL AGENT Bayer HealthCare AG (DE) 2006-02-15 EP disclosed
WO-2004099212-A1 HETEROCYCLYL-SUBSTITUTED DIHYDROQUINAZOLINES AND USE THEREOF AS AN ANTIVIRAL AGENT BAYER HEALTHCARE AG (DE) 2004-11-18 WO disclosed