SCHEMBL5877289

SCHEMBL5877289

NCC1CCCC(Cn2c(C=Cc3ccccc3)nc3ccccc3c2=O)C1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.59
MAPK1 P28482 1/20 0.59
LMNA P02545 5/20 0.55
SMN1; SMN2 Q16637 3/20 0.55
KMT2A Q03164 7/20 0.54
MEN1 O00255 6/20 0.54
GFER P55789 1/20 0.53
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
ALDH1A1 P00352 4/20 0.47
MAPT P10636 3/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
HKDC1 Q2TB90 2/20 0.47
PLA2G1B P04054 1/20 0.47
ATG4B Q9Y4P1 1/20 0.47
POLB P06746 1/20 0.47
RAD1 O60671 1/20 0.47
CFTR P13569 1/20 0.47
APEX1 P27695 1/20 0.47
CASP6 P55212 1/20 0.47

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
SCHEMBL5877288 1.00 KDM4E (0.59) KDM4EMAPK1LMNASMN1; SMN2KMT2A
SCHEMBL5878243 0.91 MEN1 (0.61) KDM4EMAPK1LMNASMN1; SMN2KMT2A
SCHEMBL5878248 0.91 MEN1 (0.61) KDM4EMAPK1LMNASMN1; SMN2KMT2A
SCHEMBL5878060 0.89 KDM4E (0.47) KDM4EMAPK1LMNASMN1; SMN2KMT2A
SCHEMBL5878063 0.89 KDM4E (0.47) KDM4EMAPK1LMNASMN1; SMN2KMT2A
SCHEMBL5877665 0.88 KDM4E (0.47) KDM4EMAPK1LMNASMN1; SMN2KMT2A
SCHEMBL5877668 0.88 KDM4E (0.47) KDM4EMAPK1LMNASMN1; SMN2KMT2A
SCHEMBL5877035 0.88 TUBB4A (0.51) KDM4EMAPK1LMNASMN1; SMN2KMT2A
SCHEMBL5877029 0.88 TUBB4A (0.51) KDM4EMAPK1LMNASMN1; SMN2KMT2A
SCHEMBL5877397 0.86 MEN1 (0.50) KDM4EMAPK1LMNASMN1; SMN2KMT2A

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-7060706-B1 Quinazolinones 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 2006-06-13 US disclosed
EP-1216233-A1 QUINAZOLINONES MERCK PATENT GmbH (DE) 2002-06-26 EP disclosed
WO-2001023364-A1 QUINAZOLINONES MERCK PATENT GMBH (DE) 2001-04-05 WO disclosed