SCHEMBL9729253

SCHEMBL9729253

CC1SC(=O)NN=C1c1ccc(NCCCN)c([N+](=O)[O-])c1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.54
GALR3 O60755 2/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
KAT2B Q92831 7/20 0.52
DHFR P00374 1/20 0.46
PDE4A P27815 3/20 0.42
PDE4B Q07343 3/20 0.42
PDE4C Q08493 3/20 0.42
PDE4D Q08499 3/20 0.42
PDE3B Q13370 3/20 0.42
PDE3A Q14432 3/20 0.42
CYP2D6 P10635 1/20 0.42
RAD52 P43351 1/20 0.42
KMT2A Q03164 1/20 0.42
THRB P10828 1/20 0.41

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
SCHEMBL3605833 0.84 MAPT (0.51) MAPTGALR3SMN1; SMN2PDE4APDE4B
Iodide SCHEMBL9729749 0.83 MAPT (0.51) MAPTGALR3SMN1; SMN2PDE4APDE4B
Iodide SCHEMBL9729167 0.83 MAPT (0.53) MAPTGALR3SMN1; SMN2PDE4APDE4B
SCHEMBL7273931 0.82 GALR3 (0.79) MAPTGALR3SMN1; SMN2KAT2BDHFR
SCHEMBL3440851 0.79 MAPT (0.64) MAPTGALR3SMN1; SMN2PDE4APDE4B
SCHEMBL10429894 0.78 MAPT (0.44) MAPTGALR3SMN1; SMN2DHFRPDE4A
SCHEMBL10429893 0.78 MAPT (0.44) MAPTGALR3SMN1; SMN2DHFRPDE4A
SCHEMBL7268573 0.77 MAPT (0.65) MAPTGALR3SMN1; SMN2KAT2BDHFR
SCHEMBL3441023 0.77 PDE3B (0.50) MAPTGALR3SMN1; SMN2DHFRPDE4A
SCHEMBL9729357 0.77 GALR3 (0.45) MAPTGALR3SMN1; SMN2PDE4APDE4B

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-5108998-A CARDIOTONIC THIADIAZINE DERIVATIVES HEUMANN PHARMA GMBH & CO. (DE) 1992-04-28 US disclosed
EP-0399196-A1 Diazine derivatives, process for their preparation, and medicaments containing these compounds HEUMANN PHARMA GMBH & CO (DE) 1990-11-28 EP disclosed