SCHEMBL9834714

SCHEMBL9834714

O=C(COc1ccc(C2=NNC(=O)NC2)cc1)NCCN1CCNCC1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ACHE P22303 8/20 0.48
FAAH O00519 4/20 0.48
BCHE P06276 2/20 0.48
KDM4E B2RXH2 2/20 0.47
KMT2A Q03164 1/20 0.47
ALDH1A1 P00352 2/20 0.45
POLB P06746 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
ALK Q9UM73 1/20 0.43
GAA P10253 1/20 0.42
HSD17B10 Q99714 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42

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
Water SCHEMBL9836678 0.99 ACHE (0.48) ACHEFAAHBCHEKDM4EKMT2A
Water SCHEMBL9836672 0.99 ACHE (0.48) ACHEFAAHBCHEKDM4EKMT2A
SCHEMBL9835637 0.91 KDM4E (0.59) ACHEFAAHBCHEKDM4EKMT2A
SCHEMBL10459751 0.90 ACHE (0.51) ACHEFAAHBCHEKDM4EKMT2A
SCHEMBL9836501 0.90 MAPK1 (0.52) ACHEFAAHBCHEKDM4EKMT2A
Water SCHEMBL9837115 0.85 ALDH1A1 (0.52) ACHEFAAHBCHEKDM4EKMT2A
Water SCHEMBL9837110 0.85 ALDH1A1 (0.52) ACHEFAAHBCHEKDM4EKMT2A
SCHEMBL9837508 0.77 KMT2A (0.56) KDM4EKMT2AALDH1A1POLBL3MBTL1
SCHEMBL9835723 0.77 BCHE (0.49) ACHEBCHEHSD17B10
SCHEMBL9836985 0.75 ALOX15 (0.42) KDM4EKMT2AALDH1A1SMN1; 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
EP-0238357-B1 1,2,4-TRIAZINONE DERIVATIVES, THEIR PREPARATION AND USE Sankyo Company Limited (JP) 1991-05-29 EP disclosed
US-4898862-A 1,2,4-triazinone derivatives, their preparation and use SANKYO COMPANY LIMITED (JP) 1990-02-06 US disclosed
EP-0238357-A2 1,2,4-Triazinone derivatives, their preparation and use Sankyo Company Limited (JP) 1987-09-23 EP disclosed