SCHEMBL9835807

SCHEMBL9835807

CC(=O)N(CCN1CCOCC1)Oc1ccc(C2=NNC(=O)NC2C)cc1Cl

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMO O15229 3/20 0.42
ALDH1A1 P00352 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
SIGMAR1 Q99720 2/20 0.38
MAPT P10636 1/20 0.36
HTT P42858 1/20 0.36
NPC1 O15118 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
PDE3B Q13370 3/20 0.36
PDE3A Q14432 3/20 0.36
LMNA P02545 1/20 0.36
PDE7B Q9NP56 1/20 0.36
PDE4A P27815 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4C Q08493 1/20 0.35
PDE4D Q08499 1/20 0.35
S1PR1 P21453 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 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
SCHEMBL9836532 0.88 PDE3B (0.35) KMOSMN1; SMN2PDE3BPDE3APDE4A
SCHEMBL9836777 0.84 KMO (0.44) KMOALDH1A1SMN1; SMN2SIGMAR1MAPT
SCHEMBL9835465 0.80 BCHE (0.49) NPC1NPSR1LMNAMEN1KMT2A
SCHEMBL9835982 0.80 KMO (0.41) KMOALDH1A1MAPTHTTNPC1
SCHEMBL9836958 0.79 PDE3B (0.37) SMN1; SMN2NPC1PDE3BPDE3APDE4A
SCHEMBL9835458 0.78 PDE4A (0.40) ALDH1A1MAPTPDE3BPDE3ALMNA
SCHEMBL9836476 0.71 TDP1 (0.48) MAPTPDE3BPDE3APDE4APDE4B
SCHEMBL10886653 0.70 ATM (0.55) HTTLMNA
SCHEMBL9833986 0.69 MAPK1 (0.53) ALDH1A1SMN1; SMN2LMNAKMT2A
SCHEMBL9833975 0.68 BCHE (0.39) ALDH1A1SMN1; SMN2MEN1KMT2A

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 claimed