SCHEMBL6315900

SCHEMBL6315900

Cc1ccc2nc(C=Cc3ccccc3)n(CCCN)c(=O)c2c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.58
KMT2A Q03164 6/20 0.58
LMNA P02545 6/20 0.57
KDM4E B2RXH2 4/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
MAPK1 P28482 1/20 0.55
ALDH1A1 P00352 3/20 0.53
TP53 P04637 1/20 0.53
DHFR P00374 1/20 0.50
GFER P55789 1/20 0.49
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
MAPT P10636 2/20 0.48
HTT P42858 2/20 0.48
GAA P10253 1/20 0.47
TUBB4A P04350 1/20 0.47
TUBB P07437 1/20 0.47
TUBA3C P0DPH7 1/20 0.47
TUBA1B P68363 1/20 0.47
TUBA4A P68366 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
SCHEMBL6315896 1.00 MEN1 (0.58) MEN1KMT2ALMNAKDM4ESMN1; SMN2
SCHEMBL6314628 0.89 MEN1 (0.58) MEN1KMT2ALMNAKDM4ESMN1; SMN2
SCHEMBL6314623 0.89 MEN1 (0.58) MEN1KMT2ALMNAKDM4ESMN1; SMN2
SCHEMBL6310500 0.87 TUBB4A (0.61) MEN1KMT2ALMNAKDM4ESMN1; SMN2
SCHEMBL6310494 0.87 TUBB4A (0.61) MEN1KMT2ALMNAKDM4ESMN1; SMN2
SCHEMBL6309674 0.86 MEN1 (0.55) MEN1KMT2ALMNAKDM4ESMN1; SMN2
SCHEMBL6309679 0.86 MEN1 (0.55) MEN1KMT2ALMNAKDM4ESMN1; SMN2
SCHEMBL6315127 0.86 KMT2A (0.77) MEN1KMT2ALMNAKDM4ESMN1; SMN2
SCHEMBL6315133 0.86 KMT2A (0.77) MEN1KMT2ALMNAKDM4ESMN1; SMN2
SCHEMBL6306604 0.84 KMT2A (0.49) MEN1KMT2ALMNAKDM4ESMN1; SMN2

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