SCHEMBL7299102

SCHEMBL7299102

NC(=NCCCc1c[nH]cn1)NCCCNc1ccc(C2=NNC(=O)CC2CO)cc1[N+](=O)[O-]

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.48
GALR3 O60755 3/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
THRB P10828 1/20 0.37
ALDH1A1 P00352 3/20 0.33
PDE3B Q13370 2/20 0.33
PDE3A Q14432 2/20 0.33
LMNA P02545 2/20 0.33
SLFN12 Q8IYM2 1/20 0.33
MAPK1 P28482 1/20 0.33
GAA P10253 1/20 0.33
PRSS1 P07477 4/20 0.33
RAD52 P43351 1/20 0.32
KMT2A Q03164 1/20 0.32
DHFR P00374 1/20 0.31
POLB P06746 1/20 0.31
KDM4E B2RXH2 1/20 0.30

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
SCHEMBL7294730 0.91 MAPT (0.58) MAPTGALR3SMN1; SMN2THRBALDH1A1
SCHEMBL7292075 0.90 MAPT (0.58) MAPTGALR3SMN1; SMN2THRBALDH1A1
SCHEMBL7266722 0.88 MAPT (0.51) MAPTGALR3SMN1; SMN2THRBALDH1A1
SCHEMBL7290316 0.88 MAPT (0.59) MAPTGALR3SMN1; SMN2THRBALDH1A1
SCHEMBL7299089 0.84 MAPT (0.51) MAPTGALR3SMN1; SMN2THRBALDH1A1
SCHEMBL7273816 0.79 GALR3 (0.69) MAPTGALR3SMN1; SMN2THRBALDH1A1
SCHEMBL7268573 0.78 MAPT (0.65) MAPTGALR3SMN1; SMN2THRBALDH1A1
SCHEMBL7298909 0.78 MAPT (0.45) MAPTGALR3SMN1; SMN2THRBALDH1A1
SCHEMBL7275977 0.78 MAPT (0.62) MAPTGALR3SMN1; SMN2THRBALDH1A1
SCHEMBL7267466 0.76 MAPT (0.62) MAPTGALR3SMN1; SMN2THRBALDH1A1

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-0339208-B1 6-Oxopyridazine derivatives, process for their preparation and medicaments containing these compounds HEUMANN PHARMA GMBH & CO (DE) 1996-02-07 EP disclosed