SCHEMBL3418278

SCHEMBL3418278

N=c1[nH]c(=N)c2ccccc2[nH]1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.52
GPR3 P46089 2/20 0.52
HSD17B10 Q99714 2/20 0.52
KDM4E B2RXH2 5/20 0.44
AHR P35869 2/20 0.44
LMNA P02545 2/20 0.44
HPGD P15428 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
GAA P10253 2/20 0.44
GLA P06280 1/20 0.44
HTT P42858 1/20 0.44
ATM Q13315 1/20 0.44
KMT2A Q03164 3/20 0.41
CYP1A2 P05177 3/20 0.41
MEN1 O00255 2/20 0.41
PARP1 P09874 2/20 0.41
TNKS2 Q9H2K2 2/20 0.41
TNKS O95271 1/20 0.41
BLM P54132 1/20 0.41
PMP22 Q01453 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
SCHEMBL444778 0.79 ALDH1A1 (0.50) ALDH1A1GPR3HSD17B10KDM4EAHR
SCHEMBL30644718 0.77 KDM4E (0.63) ALDH1A1GPR3HSD17B10KDM4EAHR
SCHEMBL11142745 0.77 PARP1 (0.63) ALDH1A1GPR3HSD17B10KDM4ELMNA
SCHEMBL30644752 0.77 ALDH1A1 (0.58) ALDH1A1GPR3HSD17B10KDM4EAHR
SCHEMBL2517723 0.77 KDM4E (0.63) ALDH1A1GPR3HSD17B10KDM4EAHR
SCHEMBL7169724 0.76 ALDH1A1 (0.50) ALDH1A1GPR3HSD17B10KDM4EAHR
Iodide SCHEMBL11713121 0.76 ALDH1A1 (0.48) ALDH1A1GPR3HSD17B10KDM4EAHR
Bromide SCHEMBL11714912 0.76 ALDH1A1 (0.48) ALDH1A1GPR3HSD17B10KDM4EAHR
Aminacrine SCHEMBL1040669 0.72 ALDH1A1 (0.68) ALDH1A1GPR3HSD17B10KDM4EAHR
Carbazole SCHEMBL28126942 0.71 ALDH1A1 (0.88) ALDH1A1GPR3HSD17B10KDM4EAHR

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1373268-B1 METHOD FOR THE MANUFACTURE OF ANAGRELIDE SHIRE US INC (US) 2008-06-04 EP claimed
EP-1626047-B1 PROCESS FOR PRODUCING SUBSTITUTED AMINOQUINAZOLINONE DERIVATIVE AS A PEST CONTROL AGENT NIHON NOHYAKU CO LTD (JP) 2010-12-08 EP disclosed
EP-1626047-A4 PROCESS FOR PRODUCING SUBSTITUTED AMINOQUINAZOLINONE DERIVATIVE, INTERMEDIATE THEREFOR, AND PEST CONTROL AGENT NIHON NOHYAKU CO LTD (JP) 2008-12-03 EP disclosed
WO-2004099184-A1 PROCESS FOR PRODUCING SUBSTITUTED AMINOQUINAZOLINONE DERIVATIVE, INTERMEDIATE THEREFOR, AND PEST CONTROL AGENT NIHON NOHYAKU CO., LTD. (JP) 2004-11-18 WO disclosed