SCHEMBL9833986

SCHEMBL9833986

CC1NC(=O)NN=C1c1ccc(OCC(=O)NCCN2CCOCC2)cc1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.53
HBB P68871 1/20 0.53
HSD17B10 Q99714 2/20 0.52
LMNA P02545 2/20 0.51
ALDH1A1 P00352 4/20 0.49
KDM4E B2RXH2 3/20 0.49
HPGD P15428 2/20 0.49
GLA P06280 1/20 0.49
GAA P10253 1/20 0.49
POLB P06746 2/20 0.48
KMT2A Q03164 1/20 0.48
FAAH O00519 1/20 0.46
BCHE P06276 1/20 0.46
ACHE P22303 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
ABL1 P00519 1/20 0.46
ADORA2B P29275 1/20 0.45

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
SCHEMBL9835465 0.86 BCHE (0.49) MAPK1HBBHSD17B10LMNAKMT2A
SCHEMBL9836501 0.81 MAPK1 (0.52) MAPK1HBBHSD17B10LMNAALDH1A1
SCHEMBL10886653 0.78 ATM (0.55) LMNAHPGDPOLB
SCHEMBL10887271 0.76 ATM (0.53) HSD17B10LMNAALDH1A1KDM4EHPGD
SCHEMBL9833975 0.74 BCHE (0.39) ALDH1A1HPGDGAAPOLBKMT2A
SCHEMBL10431212 0.74 BCHE (0.49) MAPK1HBBHSD17B10LMNABCHE
SCHEMBL10459751 0.73 ACHE (0.51) ALDH1A1KDM4EPOLBKMT2AFAAH
SCHEMBL6991385 0.72 HSD17B10 (0.65) MAPK1HBBHSD17B10LMNAALDH1A1
SCHEMBL9837010 0.72 HPGD (0.41) LMNAKDM4EHPGDKMT2AFAAH
SCHEMBL9835637 0.72 KDM4E (0.59) ALDH1A1KDM4EPOLBKMT2AFAAH

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