SCHEMBL6314616

SCHEMBL6314616

COc1cc(-c2nc3ccccc3c(=O)n2CCCN)cc(OC)c1OC

nearest known ligand 0.67

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.67
LMNA P02545 4/20 0.67
POLB P06746 1/20 0.55
ABCC1 P33527 4/20 0.54
KDM4E B2RXH2 4/20 0.52
CYP1A2 P05177 1/20 0.52
CYP2D6 P10635 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
ALDH1A1 P00352 7/20 0.51
GLA P06280 1/20 0.51
MAPT P10636 3/20 0.50
HPGD P15428 3/20 0.50
MAPK1 P28482 2/20 0.50
TSHR P16473 1/20 0.50
TP53 P04637 1/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 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
SCHEMBL6314101 0.89 POLB (0.62) SMN1; SMN2LMNAPOLBABCC1KDM4E
SCHEMBL6309009 0.88 SMN1; SMN2 (0.51) SMN1; SMN2LMNAPOLBABCC1KDM4E
SCHEMBL6308236 0.87 F11 (0.56) SMN1; SMN2LMNAPOLBKDM4ECYP1A2
SCHEMBL6314294 0.86 EGFR (0.59) SMN1; SMN2LMNAPOLBABCC1KDM4E
SCHEMBL6308920 0.86 EGFR (0.51) SMN1; SMN2LMNAPOLBABCC1MAPT
SCHEMBL6307999 0.83 ALDH1A1 (0.69) SMN1; SMN2LMNAPOLBKDM4ECYP1A2
SCHEMBL6309193 0.83 F11 (0.62) SMN1; SMN2LMNAPOLBKDM4EALDH1A1
SCHEMBL6309029 0.82 CASR (0.68) SMN1; SMN2LMNAALDH1A1MAPTTSHR
SCHEMBL6313886 0.82 ALDH1A1 (0.57) SMN1; SMN2LMNAPOLBKDM4EALDH1A1
SCHEMBL6309730 0.82 ALDH1A1 (0.59) SMN1; SMN2LMNAPOLBKDM4ECYP1A2

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
US-6890930-B1 Quinazolinones 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 2005-05-10 US disclosed
EP-1216235-A1 QUINAZOLINONES MERCK PATENT GmbH (DE) 2002-06-26 EP disclosed
WO-2001023365-A1 QUINAZOLINONES MERCK PATENT GMBH (DE) 2001-04-05 WO disclosed