SCHEMBL9729178

SCHEMBL9729178

CC1SC(=O)NN=C1c1ccc(N2CCC(N)CC2)c([N+](=O)[O-])c1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.46
GALR3 O60755 3/20 0.46
THRB P10828 1/20 0.46
TP53 P04637 3/20 0.45
PDE3B Q13370 8/20 0.43
PDE3A Q14432 8/20 0.43
PDE4A P27815 5/20 0.43
PDE4B Q07343 5/20 0.43
PDE4C Q08493 5/20 0.43
PDE4D Q08499 5/20 0.43
POLB P06746 3/20 0.43
GAA P10253 2/20 0.43
CTPS1 P17812 1/20 0.43
ALDH1A1 P00352 2/20 0.42
MAPK1 P28482 2/20 0.41
SLFN12 Q8IYM2 1/20 0.41
LMNA P02545 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.39
RAB9A P51151 1/20 0.39

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
SCHEMBL9729452 0.88 MAPT (0.45) MAPTGALR3THRBTP53PDE3B
SCHEMBL10430088 0.85 TP53 (0.45) MAPTGALR3THRBTP53PDE3B
SCHEMBL7266508 0.84 GALR3 (0.67) MAPTGALR3THRBTP53PDE3B
SCHEMBL9730211 0.80 TP53 (0.42) MAPTTP53PDE3BPDE3APDE4A
SCHEMBL3440851 0.79 MAPT (0.64) MAPTGALR3THRBPDE3BPDE3A
SCHEMBL3441023 0.77 PDE3B (0.50) MAPTGALR3THRBPDE3BPDE3A
SCHEMBL10430009 0.76 CTPS1 (0.34) MAPTGALR3THRBTP53PDE3B
Iodide SCHEMBL9730223 0.75 GALR3 (0.39) MAPTGALR3THRBTP53PDE3B
SCHEMBL10429892 0.74 MAPT (0.34) MAPTGALR3THRBTP53PDE3B
SCHEMBL7268664 0.74 GALR3 (0.63) MAPTGALR3THRBTP53PDE3B

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
US-5108998-A CARDIOTONIC THIADIAZINE DERIVATIVES HEUMANN PHARMA GMBH & CO. (DE) 1992-04-28 US disclosed
US-5082942-A NOVEL DERIVATIVES OF TETRAHYDRO-2,3,6,7,1H,5H,11H-(1)BENZOPYRANO(6,7,8,IJ)QUINOLIZINONE-11 USABLE AS MARKERS OF ORGANIC COMPOUNDS FOR THE DETECTION OF SAID COMPOUNDS BY CHEMILUMINESCENCE OR FLUORESCENCE LABORATORIES EUROBIO (FR) 1992-01-21 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