SCHEMBL9729357

SCHEMBL9729357

CC1SC(=O)NN=C1c1ccc(NC2CCNCC2)c([N+](=O)[O-])c1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GALR3 O60755 3/20 0.45
MAPT P10636 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
PDE3B Q13370 6/20 0.43
PDE3A Q14432 6/20 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
THRB P10828 1/20 0.41
ALDH1A1 P00352 1/20 0.40
GAA P10253 1/20 0.40
HCAR3 P49019 3/20 0.40
TP53 P04637 2/20 0.40
POLB P06746 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
SLFN12 Q8IYM2 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
SCHEMBL3605833 0.78 MAPT (0.51) GALR3MAPTSMN1; SMN2PDE3BPDE3A
SCHEMBL9729452 0.78 MAPT (0.45) GALR3MAPTSMN1; SMN2PDE3BPDE3A
SCHEMBL3440851 0.77 MAPT (0.64) GALR3MAPTSMN1; SMN2PDE3BPDE3A
SCHEMBL3441023 0.77 PDE3B (0.50) GALR3MAPTSMN1; SMN2PDE3BPDE3A
SCHEMBL9729253 0.77 MAPT (0.54) GALR3MAPTSMN1; SMN2PDE3BPDE3A
SCHEMBL7321438 0.76 GALR3 (0.70) GALR3MAPTSMN1; SMN2PDE3BPDE3A
Iodide SCHEMBL9729167 0.73 MAPT (0.53) GALR3MAPTSMN1; SMN2PDE3BPDE3A
SCHEMBL9729178 0.72 MAPT (0.46) GALR3MAPTSMN1; SMN2PDE3BPDE3A
Iodide SCHEMBL9729749 0.72 MAPT (0.51) GALR3MAPTSMN1; SMN2PDE3BPDE3A
Bromide SCHEMBL11023029 0.71 HCAR3 (0.52) MAPTSMN1; SMN2ALDH1A1HCAR3

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-5158949-A 1,3-DIOXOLANE DERIVATIVES AS CHOLESTEROL-LOWERING AGENTS SYNTEX (U.S.A.) INC. (US) 1992-10-27 US disclosed
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