SCHEMBL5878166

SCHEMBL5878166

COc1ccc2nc(C=Cc3ccccc3)n(CC3CCCC(CN)C3)c(=O)c2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.45
MAPK1 P28482 1/20 0.45
TUBB4A P04350 1/20 0.44
TUBB P07437 1/20 0.44
TUBA3C P0DPH7 1/20 0.44
TUBA1B P68363 1/20 0.44
TUBA4A P68366 1/20 0.44
TUBB4B P68371 1/20 0.44
TUBB3 Q13509 1/20 0.44
TUBB2A Q13885 1/20 0.44
TUBB8 Q3ZCM7 1/20 0.44
TUBA3E Q6PEY2 1/20 0.44
TUBA1A Q71U36 1/20 0.44
TUBA1C Q9BQE3 1/20 0.44
TUBB6 Q9BUF5 1/20 0.44
TUBB2B Q9BVA1 1/20 0.44
TUBB1 Q9H4B7 1/20 0.44
LMNA P02545 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
NPC1 O15118 1/20 0.43

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
SCHEMBL5878162 1.00 KDM4E (0.45) KDM4EMAPK1TUBB4ATUBBTUBA3C
SCHEMBL5877127 0.91 MEN1 (0.45) KDM4EMAPK1MEN1KMT2AMAPT
SCHEMBL5877121 0.91 MEN1 (0.45) KDM4EMAPK1MEN1KMT2AMAPT
SCHEMBL5877223 0.89 LMNA (0.39) KDM4ELMNASMN1; SMN2NPC1NFKB1
SCHEMBL5877219 0.89 LMNA (0.39) KDM4ELMNASMN1; SMN2NPC1NFKB1
SCHEMBL5877668 0.88 KDM4E (0.47) KDM4EMAPK1TUBB4ATUBBTUBA3C
SCHEMBL5877665 0.88 KDM4E (0.47) KDM4EMAPK1TUBB4ATUBBTUBA3C
SCHEMBL5877739 0.87 KMT2A (0.40) KDM4ELMNASMN1; SMN2NPC1ALDH1A1
SCHEMBL5877746 0.87 KMT2A (0.40) KDM4ELMNASMN1; SMN2NPC1ALDH1A1
SCHEMBL5877029 0.86 TUBB4A (0.51) KDM4EMAPK1TUBB4ATUBBTUBA3C

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