SCHEMBL9819320

SCHEMBL9819320

CN1CCC(=O)N(c2ccccc2[N+](=O)[O-])C1=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.47
HTT P42858 2/20 0.45
KMT2A Q03164 2/20 0.45
MAPT P10636 5/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
LMNA P02545 2/20 0.40
MITF O75030 1/20 0.40
MAPK1 P28482 1/20 0.40
CCR6 P51684 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
HTR1A P08908 1/20 0.40
MEN1 O00255 1/20 0.40
GAA P10253 1/20 0.40
DRD2 P14416 1/20 0.39
DRD4 P21917 1/20 0.39
DRD3 P35462 1/20 0.39
GRM5 P41594 1/20 0.39
XDH P47989 1/20 0.39
HSD11B1 P28845 1/20 0.38

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
SCHEMBL29510718 0.81 ALDH1A1 (0.56) ALDH1A1HTTKMT2AMAPTSMN1; SMN2
SCHEMBL22493009 0.81 ALDH1A1 (0.56) ALDH1A1HTTKMT2AMAPTSMN1; SMN2
SCHEMBL6140888 0.79 ALDH1A1 (0.54) ALDH1A1HTTKMT2AMAPTSMN1; SMN2
SCHEMBL9819256 0.76 MEN1 (0.47) ALDH1A1KMT2AMAPTSMN1; SMN2L3MBTL1
SCHEMBL9819404 0.76 MGLL (0.47) ALDH1A1KMT2AMAPTL3MBTL1HTR1A
SCHEMBL11183526 0.75 ALDH1A1 (0.50) ALDH1A1HTTKMT2AMAPTSMN1; SMN2
Hydrochloric Acid SCHEMBL9819442 0.75 ADRA2C (0.44) ALDH1A1HTTKMT2AMAPTSMN1; SMN2
SCHEMBL9819361 0.74 POLB (0.49) ALDH1A1HTTKMT2AMAPTSMN1; SMN2
SCHEMBL9819470 0.72 ALDH1A1 (0.41) ALDH1A1HTTKMT2AMAPTL3MBTL1
SCHEMBL6857955 0.72 LMNA (0.51) ALDH1A1HTTKMT2AMAPTLMNA

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-0162669-B1 ANTICONVULSIVE COMPOUNDS KYOWA HAKKO KOGYO CO., LTD. (JP) 1991-12-11 EP disclosed
US-4588729-A Treating convulsions with dihydrouracil derivatives KYOWA HAKKO KOGYO CO., LTD. (JP) 1986-05-13 US disclosed
EP-0162669-A2 Anticonvulsive compounds KYOWA HAKKO KOGYO CO., LTD. (JP) 1985-11-27 EP disclosed