SCHEMBL5878060

SCHEMBL5878060

NCC1CCCC(Cn2c(/C=C/c3ccccc3)nc3cc(Cl)ccc3c2=O)C1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.47
MAPK1 P28482 1/20 0.47
EGFR P00533 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
LMNA P02545 1/20 0.44
TUBB4A P04350 2/20 0.43
TUBB P07437 2/20 0.43
TUBA3C P0DPH7 2/20 0.43
TUBA1B P68363 2/20 0.43
TUBA4A P68366 2/20 0.43
TUBB4B P68371 2/20 0.43
TUBB3 Q13509 2/20 0.43
TUBB2A Q13885 2/20 0.43
TUBB8 Q3ZCM7 2/20 0.43
TUBA3E Q6PEY2 2/20 0.43
TUBA1A Q71U36 2/20 0.43
TUBA1C Q9BQE3 2/20 0.43
TUBB6 Q9BUF5 2/20 0.43
TUBB2B Q9BVA1 2/20 0.43
TUBB1 Q9H4B7 2/20 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
SCHEMBL5878063 1.00 KDM4E (0.47) KDM4EMAPK1EGFRSMN1; SMN2LMNA
SCHEMBL5877035 0.94 TUBB4A (0.51) KDM4EMAPK1SMN1; SMN2LMNATUBB4A
SCHEMBL5877029 0.94 TUBB4A (0.51) KDM4EMAPK1SMN1; SMN2LMNATUBB4A
SCHEMBL5877288 0.89 KDM4E (0.59) KDM4EMAPK1SMN1; SMN2LMNAKMT2A
SCHEMBL5877289 0.89 KDM4E (0.59) KDM4EMAPK1SMN1; SMN2LMNAKMT2A
SCHEMBL5877456 0.89 MEN1 (0.47) KDM4EMAPK1EGFRKMT2AMEN1
SCHEMBL5877452 0.89 MEN1 (0.47) KDM4EMAPK1EGFRKMT2AMEN1
SCHEMBL7539728 0.86 ALDH1A1 (0.43) KDM4EEGFRSMN1; SMN2LMNAKMT2A
SCHEMBL7539725 0.86 ALDH1A1 (0.43) KDM4EEGFRSMN1; SMN2LMNAKMT2A
SCHEMBL5877668 0.84 KDM4E (0.47) KDM4EMAPK1SMN1; SMN2LMNATUBB4A

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