SCHEMBL7292014

SCHEMBL7292014

O=C1CC2CCSc3ccc([N+](=O)[O-])cc3C2=NN1c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.41
MEN1 O00255 5/20 0.41
MAPT P10636 4/20 0.41
GAA P10253 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ALDH1A1 P00352 3/20 0.39
KDM4E B2RXH2 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
LMNA P02545 2/20 0.35
PDE4A P27815 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4C Q08493 1/20 0.35
PDE4D Q08499 1/20 0.35
MYH2 Q9UKX2 1/20 0.35
G6PD P11413 1/20 0.35
TLR9 Q9NR96 1/20 0.35
PHOSPHO1 Q8TCT1 1/20 0.35
HTT P42858 1/20 0.35
CTSL P07711 1/20 0.35

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
SCHEMBL10570971 0.88 MAPT (0.45) KMT2AMEN1MAPTGAANPSR1
SCHEMBL7290530 0.83 PDE4A (0.38) KMT2AMEN1MAPTGAAL3MBTL1
SCHEMBL7294604 0.83 PDE4A (0.39) KMT2AMEN1MAPTGAANPSR1
SCHEMBL10366069 0.82 MAPT (0.43) KMT2AMEN1MAPTGAANPSR1
SCHEMBL10563420 0.80 AMY1A (0.39) KMT2AMEN1MAPTGAANPSR1
SCHEMBL10567372 0.78 MEN1 (0.44) KMT2AMEN1MAPTGAAL3MBTL1
SCHEMBL10570570 0.78 KDM4E (0.37) KMT2AMEN1MAPTGAANPSR1
SCHEMBL7297343 0.78 CNR2 (0.34) KMT2AMEN1GAAALDH1A1KDM4E
SCHEMBL7286803 0.77 VHL (0.42) KMT2AMEN1MAPTGAANPSR1
SCHEMBL10562379 0.76 POLB (0.40) KMT2AMEN1MAPTGAANPSR1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4849421-A SIDE EFFECT REDUCTION YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1989-07-18 US disclosed
EP-0281045-A1 Benzothiepino (5,4-c) pyridazine compounds and their pharmaceutical uses Yoshitomi Pharmaceutical Industries, Ltd. (JP) 1988-09-07 EP disclosed