SCHEMBL11114872

SCHEMBL11114872

O=[N+]([O-])c1cccc(NCCCCl)c1

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
POLB P06746 2/20 0.51
MAPT P10636 2/20 0.51
DDX3X O00571 1/20 0.51
HTT P42858 1/20 0.51
CTDSP1 Q9GZU7 1/20 0.51
TSHR P16473 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.49
LMNA P02545 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
ALDH1A1 P00352 3/20 0.47
HPGD P15428 1/20 0.47
ALOX12 P18054 1/20 0.47
BLM P54132 1/20 0.47
TDP1 Q9NUW8 1/20 0.46

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
SCHEMBL11164763 0.86 ALDH1A1 (0.56) MEN1KMT2APOLBMAPTDDX3X
SCHEMBL11158043 0.85 ALDH1A1 (0.60) MEN1KMT2APOLBMAPTDDX3X
SCHEMBL2010242 0.84 MAPT (0.56) MEN1KMT2APOLBMAPTDDX3X
SCHEMBL11115027 0.84 ALDH1A1 (0.57) MEN1KMT2APOLBMAPTDDX3X
SCHEMBL4611265 0.83 ALDH1A1 (0.52) MEN1KMT2APOLBMAPTDDX3X
SCHEMBL11291923 0.83 MEN1 (0.50) MEN1KMT2APOLBMAPTDDX3X
SCHEMBL16943226 0.82 MAPT (0.56) MEN1KMT2APOLBMAPTDDX3X
SCHEMBL5605034 0.82 ALDH1A1 (0.51) MEN1KMT2APOLBMAPTDDX3X
SCHEMBL6231289 0.82 MAPT (0.53) MEN1KMT2APOLBMAPTDDX3X
SCHEMBL3476083 0.82 ALDH1A1 (0.51) MEN1KMT2APOLBMAPTDDX3X

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0058868-B1 DERIVATIVES OF TETRAHYDROPYRIMIDINON, PROCESS FOR THEIR PREPARATION AND HERBICIDES CONTAINING THOSE DERIVATIVES AS ACTIVE PRODUCTS NIHON TOKUSHU NOYAKU SEIZO K.K. (JP) 1984-04-11 EP disclosed
US-4402731-A Herbicidally active novel substituted tetrahydropyrimidinones NIHON TOKUSHU NOYAKU SEIZO K.K. (JP) 1983-09-06 US disclosed