SCHEMBL6309679

SCHEMBL6309679

COc1ccc2nc(C=Cc3ccccc3)n(CCCN)c(=O)c2c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.55
KMT2A Q03164 5/20 0.55
KDM4E B2RXH2 3/20 0.52
MAPK1 P28482 1/20 0.52
LMNA P02545 4/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
TUBB4A P04350 1/20 0.50
TUBB P07437 1/20 0.50
TUBA3C P0DPH7 1/20 0.50
TUBA1B P68363 1/20 0.50
TUBA4A P68366 1/20 0.50
TUBB4B P68371 1/20 0.50
TUBB3 Q13509 1/20 0.50
TUBB2A Q13885 1/20 0.50
TUBB8 Q3ZCM7 1/20 0.50
TUBA3E Q6PEY2 1/20 0.50
TUBA1A Q71U36 1/20 0.50
TUBA1C Q9BQE3 1/20 0.50
TUBB6 Q9BUF5 1/20 0.50
TUBB2B Q9BVA1 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
SCHEMBL6309674 1.00 MEN1 (0.55) MEN1KMT2AKDM4EMAPK1LMNA
SCHEMBL6306740 0.89 MEN1 (0.56) MEN1KMT2AKDM4EMAPK1LMNA
SCHEMBL6306737 0.89 MEN1 (0.56) MEN1KMT2AKDM4EMAPK1LMNA
SCHEMBL6306831 0.87 LMNA (0.45) MEN1KMT2AKDM4ELMNAALDH1A1
SCHEMBL6306834 0.87 LMNA (0.45) MEN1KMT2AKDM4ELMNAALDH1A1
SCHEMBL6315896 0.86 MEN1 (0.58) MEN1KMT2AKDM4EMAPK1LMNA
SCHEMBL6315900 0.86 MEN1 (0.58) MEN1KMT2AKDM4EMAPK1LMNA
SCHEMBL6313835 0.85 KMT2A (0.47) MEN1KMT2AKDM4ELMNASMN1; SMN2
SCHEMBL6313839 0.85 KMT2A (0.47) MEN1KMT2AKDM4ELMNASMN1; SMN2
SCHEMBL6310295 0.84 LMNA (0.54) MEN1KMT2AKDM4EMAPK1LMNA

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