SCHEMBL5698142

SCHEMBL5698142

O=C(CNc1[c]cccc1)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 5/20 0.50
RAB9A P51151 3/20 0.50
KDM4E B2RXH2 2/20 0.50
AKR1C3 P42330 1/20 0.49
SMN1; SMN2 Q16637 4/20 0.48
HPGD P15428 4/20 0.48
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
MAPT P10636 3/20 0.48
CYP3A4 P08684 3/20 0.48
MAPK1 P28482 2/20 0.48
TDP1 Q9NUW8 2/20 0.48
ALOX15 P16050 1/20 0.48
CES1 P23141 1/20 0.48
ALDH1A1 P00352 6/20 0.46
NPC1 O15118 2/20 0.46
GAA P10253 1/20 0.43
PTPN1 P18031 2/20 0.43
ERCC5 P28715 1/20 0.43
FEN1 P39748 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
SCHEMBL16294303 0.84 CDC25A (0.40) KDM4ESMN1; SMN2HPGDMEN1KMT2A
SCHEMBL2204210 0.79 ALDH1A1 (0.54) AGTR1RAB9AKDM4EAKR1C3SMN1; SMN2
SCHEMBL6599381 0.79 TDP1 (0.34) KDM4ESMN1; SMN2MEN1KMT2AMAPT
SCHEMBL9095004 0.78 KMT2A (0.52) RAB9AKDM4ESMN1; SMN2HPGDMEN1
SCHEMBL8152713 0.77 MAOA (0.33)
SCHEMBL5698143 0.74 ALDH1A1 (0.59) AGTR1RAB9AKDM4EAKR1C3SMN1; SMN2
SCHEMBL593746 0.74 AKR1C3 (0.73) AGTR1RAB9AKDM4EAKR1C3SMN1; SMN2
SCHEMBL429187 0.73 PTPN1 (0.48) RAB9AKDM4ESMN1; SMN2HPGDMEN1
SCHEMBL3204629 0.71 CCNA2 (0.34) MEN1KMT2AMAPTTDP1ALOX15
SCHEMBL5932634 0.71 HPGD (0.68) AGTR1RAB9AKDM4EAKR1C3SMN1; 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1670772-A1 DERIVATIVES OF 1,3-DIONES HAVING A HERBICIDAL ACTIVITY Isagro Ricerca S.r.l. (IT) 2006-06-21 EP claimed
WO-2005030736-A1 DERIVATIVES OF 1,3-DIONES HAVING A HERBICIDAL ACTIVITY ISAGRO RICERCA S.R.L. (IT) 2005-04-07 WO claimed
EP-1670772-A1 DERIVATIVES OF 1,3-DIONES HAVING A HERBICIDAL ACTIVITY Isagro Ricerca S.r.l. (IT) 2006-06-21 EP disclosed
WO-2005030736-A1 DERIVATIVES OF 1,3-DIONES HAVING A HERBICIDAL ACTIVITY ISAGRO RICERCA S.R.L. (IT) 2005-04-07 WO disclosed