SCHEMBL9835982

SCHEMBL9835982

CC1NC(=O)NN=C1c1ccc(OC(CCN2CCOCC2)C(N)=O)c(Cl)c1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMO O15229 4/20 0.41
NPSR1 Q6W5P4 1/20 0.40
ALDH1A1 P00352 2/20 0.39
S1PR1 P21453 1/20 0.39
JAK2 O60674 3/20 0.38
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.35
HTT P42858 1/20 0.35
NPC1 O15118 1/20 0.35
PDE3B Q13370 1/20 0.35
PDE3A Q14432 1/20 0.35
PDE7B Q9NP56 1/20 0.35
RET P07949 1/20 0.35
PDE4D Q08499 2/20 0.34
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
GPR119 Q8TDV5 1/20 0.34

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
SCHEMBL9835807 0.80 KMO (0.42) KMONPSR1ALDH1A1S1PR1LMNA
SCHEMBL9835465 0.79 BCHE (0.49) NPSR1LMNANPC1
SCHEMBL9837456 0.73 PDE4A (0.39) KMOS1PR1PDE3BPDE3APDE4D
SCHEMBL9836476 0.69 TDP1 (0.48) MAPTPDE3BPDE3APDE4DGPR119
SCHEMBL10886653 0.69 ATM (0.55) LMNAHTT
SCHEMBL9837594 0.68 PDE3B (0.41) ALDH1A1LMNAMAPTNPC1PDE3B
SCHEMBL9836532 0.68 PDE3B (0.35) KMOPDE3BPDE3APDE4DGPR119
SCHEMBL9833986 0.67 MAPK1 (0.53) ALDH1A1LMNA
SCHEMBL9833975 0.67 BCHE (0.39) ALDH1A1
SCHEMBL10431212 0.67 BCHE (0.49) LMNAPDE3BPDE3APDE4DGPR119

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 1 patent. 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