SCHEMBL5877665

SCHEMBL5877665

Cc1ccc2nc(/C=C/c3ccccc3)n(CC3CCCC(CN)C3)c(=O)c2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.47
MAPK1 P28482 1/20 0.47
ALDH1A1 P00352 3/20 0.47
TP53 P04637 1/20 0.47
SMN1; SMN2 Q16637 4/20 0.46
LMNA P02545 3/20 0.46
DHFR P00374 1/20 0.44
MEN1 O00255 5/20 0.43
KMT2A Q03164 5/20 0.43
GFER P55789 1/20 0.43
GAA P10253 2/20 0.41
TUBB4A P04350 1/20 0.41
TUBB P07437 1/20 0.41
TUBA3C P0DPH7 1/20 0.41
TUBA1B P68363 1/20 0.41
TUBA4A P68366 1/20 0.41
TUBB4B P68371 1/20 0.41
TUBB3 Q13509 1/20 0.41
TUBB2A Q13885 1/20 0.41
TUBB8 Q3ZCM7 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
SCHEMBL5877668 1.00 KDM4E (0.47) KDM4EMAPK1ALDH1A1TP53SMN1; SMN2
SCHEMBL7487486 0.90 MEN1 (0.47) KDM4EMAPK1ALDH1A1TP53SMN1; SMN2
SCHEMBL7487482 0.90 MEN1 (0.47) KDM4EMAPK1ALDH1A1TP53SMN1; SMN2
SCHEMBL5877029 0.89 TUBB4A (0.51) KDM4EMAPK1ALDH1A1TP53SMN1; SMN2
SCHEMBL5877035 0.89 TUBB4A (0.51) KDM4EMAPK1ALDH1A1TP53SMN1; SMN2
SCHEMBL5877289 0.88 KDM4E (0.59) KDM4EMAPK1ALDH1A1TP53SMN1; SMN2
SCHEMBL5877288 0.88 KDM4E (0.59) KDM4EMAPK1ALDH1A1TP53SMN1; SMN2
SCHEMBL5878166 0.88 KDM4E (0.45) KDM4EMAPK1ALDH1A1TP53SMN1; SMN2
SCHEMBL5878162 0.88 KDM4E (0.45) KDM4EMAPK1ALDH1A1TP53SMN1; SMN2
SCHEMBL5877957 0.87 ALDH1A1 (0.42) KDM4EALDH1A1TP53SMN1; SMN2LMNA

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