SCHEMBL6315133

SCHEMBL6315133

NCCCn1c(C=Cc2ccccc2)nc2ccccc2c1=O

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.77
MEN1 O00255 6/20 0.77
LMNA P02545 7/20 0.71
SMN1; SMN2 Q16637 2/20 0.71
KDM4E B2RXH2 5/20 0.70
MAPK1 P28482 1/20 0.70
NPC1 O15118 1/20 0.61
RAB9A P51151 1/20 0.61
GFER P55789 1/20 0.61
MAPT P10636 5/20 0.61
ALDH1A1 P00352 5/20 0.61
HTT P42858 1/20 0.61
PLA2G1B P04054 1/20 0.61
ATG4B Q9Y4P1 1/20 0.61
HKDC1 Q2TB90 2/20 0.58
L3MBTL1 Q9Y468 2/20 0.55
POLB P06746 1/20 0.55
RAD1 O60671 1/20 0.55
CFTR P13569 1/20 0.55
APEX1 P27695 1/20 0.55

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
SCHEMBL6315127 1.00 KMT2A (0.77) KMT2AMEN1LMNASMN1; SMN2KDM4E
SCHEMBL6308082 0.89 MEN1 (0.77) KMT2AMEN1LMNASMN1; SMN2KDM4E
SCHEMBL6308089 0.89 MEN1 (0.77) KMT2AMEN1LMNASMN1; SMN2KDM4E
SCHEMBL7546931 0.87 MEN1 (0.60) KMT2AMEN1LMNASMN1; SMN2KDM4E
SCHEMBL7546935 0.87 MEN1 (0.60) KMT2AMEN1LMNASMN1; SMN2KDM4E
SCHEMBL6315896 0.86 MEN1 (0.58) KMT2AMEN1LMNASMN1; SMN2KDM4E
SCHEMBL6310500 0.86 TUBB4A (0.61) KMT2AMEN1LMNASMN1; SMN2KDM4E
SCHEMBL6315900 0.86 MEN1 (0.58) KMT2AMEN1LMNASMN1; SMN2KDM4E
SCHEMBL6310494 0.86 TUBB4A (0.61) KMT2AMEN1LMNASMN1; SMN2KDM4E
SCHEMBL6306036 0.83 MEN1 (0.57) KMT2AMEN1LMNASMN1; SMN2KDM4E

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