SCHEMBL9024286

SCHEMBL9024286

O=C(CCc1cccnc1)N(N=CCCc1cccnc1)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
C3AR1 Q16581 1/20 0.45
MAPT P10636 6/20 0.44
HTT P42858 2/20 0.44
NAMPT P43490 1/20 0.43
ALDH1A1 P00352 4/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
GAA P10253 2/20 0.39
KDM4E B2RXH2 2/20 0.39
LMNA P02545 1/20 0.39
PKM P14618 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
RAB9A P51151 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
POLB P06746 1/20 0.38
UBE2N P61088 1/20 0.38

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
SCHEMBL8538121 0.79 NAMPT (0.49) C3AR1MAPTHTTNAMPTALDH1A1
SCHEMBL4489396 0.73 NAMPT (0.54) C3AR1MAPTHTTNAMPTALDH1A1
SCHEMBL8538118 0.73 NAMPT (0.52) MAPTHTTNAMPTALDH1A1SMN1; SMN2
SCHEMBL8538119 0.73 NAMPT (0.52) MAPTHTTNAMPTALDH1A1SMN1; SMN2
SCHEMBL24636716 0.70 MAPT (0.60) C3AR1MAPTHTTNAMPTALDH1A1
SCHEMBL11856687 0.69 GAA (0.53) MAPTHTTNAMPTALDH1A1SMN1; SMN2
SCHEMBL9024271 0.69 NAMPT (0.48) MAPTHTTNAMPTALDH1A1SMN1; SMN2
SCHEMBL9024281 0.69 NAMPT (0.48) MAPTHTTNAMPTALDH1A1SMN1; SMN2
SCHEMBL11295721 0.68 MAPT (0.51) MAPTHTTNAMPTALDH1A1SMN1; SMN2
SCHEMBL10881254 0.68 SMN1; SMN2 (0.44) MAPTHTTNAMPTSMN1; SMN2GAA

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-0715627-A1 INDOLE DERIVATIVES AS THROMBOXANE A2 ANTAGONISTS Pfizer Limited (GB) 1996-06-12 EP disclosed