SCHEMBL9768625

SCHEMBL9768625

Cc1cc(C)n(-c2ccc([N+](=O)[O-])cc2)n1.Cc1nc(C)n(-c2ccc([N+](=O)[O-])cc2)n1

nearest known ligand 0.79

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.79
POLB P06746 3/20 0.56
TDP1 Q9NUW8 1/20 0.55
LMNA P02545 4/20 0.52
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
MAPK1 P28482 2/20 0.51
GAA P10253 1/20 0.51
HTT P42858 3/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
ALDH1A1 P00352 5/20 0.47
KDM4E B2RXH2 1/20 0.44

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
SCHEMBL6320995 0.89 TDP1 (0.67) MAPTPOLBTDP1LMNAMEN1
SCHEMBL1532426 0.89 MAPT (1.00) MAPTPOLBTDP1LMNAMEN1
SCHEMBL7239531 0.75 MAPT (0.71) MAPTPOLBLMNAMEN1KMT2A
SCHEMBL11449832 0.75 MAPT (0.72) MAPTPOLBTDP1LMNAMEN1
SCHEMBL11328079 0.75 MAPT (0.72) MAPTPOLBLMNAMEN1KMT2A
SCHEMBL11073261 0.75 TDP1 (0.63) MAPTPOLBTDP1LMNAMEN1
SCHEMBL7245087 0.75 MAPT (0.72) MAPTPOLBTDP1LMNAMEN1
SCHEMBL28698469 0.73 MAPT (0.70) MAPTPOLBLMNAMEN1KMT2A
SCHEMBL29120365 0.72 MAPT (0.67) MAPTTDP1LMNAMAPK1GAA
SCHEMBL11065466 0.72 TDP1 (0.60) MAPTPOLBTDP1LMNAMEN1

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
US-5049762-A Optical wavelength converter system FUJI PHOTO FILM CO., LTD. (JP) 1991-09-17 US disclosed