SCHEMBL9688130

SCHEMBL9688130

C=CCCc1c(=O)[nH]c(C(=O)N2CCN(c3ccc(OC)c(OC)c3)CC2)c(OC)[n+]1[O-]

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.43
SMN1; SMN2 Q16637 5/20 0.43
GAA P10253 1/20 0.43
HTT P42858 1/20 0.43
PDE3B Q13370 2/20 0.40
PDE3A Q14432 2/20 0.40
NR3C1 P04150 1/20 0.40
PGR P06401 1/20 0.40
SLC6A4 P31645 1/20 0.40
KCNH2 Q12809 1/20 0.40
KMT2A Q03164 2/20 0.38
MAPK1 P28482 4/20 0.38
MAPT P10636 2/20 0.38
TP53 P04637 1/20 0.38
THRB P10828 1/20 0.38
GFER P55789 2/20 0.37
JAK3 P52333 1/20 0.36
ALDH1A1 P00352 3/20 0.36
NPC1 O15118 3/20 0.36
RAB9A P51151 2/20 0.36

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
SCHEMBL9688018 0.73 MEN1 (0.49) LMNASMN1; SMN2GAAHTTKMT2A
SCHEMBL9164648 0.73 KMT2A (0.47) KMT2AMAPTTHRBALDH1A1RAB9A
SCHEMBL9686788 0.72 ALDH1A1 (0.43) LMNASMN1; SMN2GAAHTTKMT2A
SCHEMBL9687450 0.70 HPGDS (0.48) LMNASMN1; SMN2HTTKMT2AMAPT
SCHEMBL9689051 0.68 DCTPP1 (0.50) LMNASMN1; SMN2KMT2AMAPTALDH1A1
SCHEMBL9686909 0.64 KMT2A (0.46) LMNAKMT2AMAPK1MAPTTHRB
SCHEMBL7034123 0.61 PDE3B (0.66) LMNASMN1; SMN2GAAHTTPDE3B
SCHEMBL16276101 0.61 LMNA (0.64) LMNASMN1; SMN2GAAHTTPDE3B
SCHEMBL9403786 0.61 PDE3B (0.58) LMNASMN1; SMN2GAAHTTPDE3B
SCHEMBL2821855 0.60 KMT2A (0.65) SMN1; SMN2HTTKMT2AMAPTGFER

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-0511879-A1 Pyrazine derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1992-11-04 EP disclosed