SCHEMBL8346017

SCHEMBL8346017

CCC(C)OP(=O)(O)CNc1cc(N2CCOCC2)c(C(F)(F)F)cc1[N+](=O)[O-]

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SERPINE1 P05121 1/20 0.53
ALDH1A1 P00352 9/20 0.43
MAPT P10636 7/20 0.43
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MAPK1 P28482 2/20 0.39
LMNA P02545 2/20 0.38
RAB9A P51151 1/20 0.37
TSHR P16473 1/20 0.37
POLB P06746 1/20 0.36
HTT P42858 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL8345101 0.86 ALDH1A1 (0.41) SERPINE1ALDH1A1MAPTLMNATSHR
SCHEMBL8091948 0.82 SERPINE1 (0.41) SERPINE1ALDH1A1MAPTL3MBTL1MAPK1
SCHEMBL8123521 0.82 SERPINE1 (0.53) SERPINE1ALDH1A1MAPTTDP1L3MBTL1
SCHEMBL8171363 0.82 SERPINE1 (0.40) SERPINE1ALDH1A1MAPTTDP1MAPK1
SCHEMBL8342163 0.78 SERPINE1 (0.37) SERPINE1ALDH1A1MAPTLMNARAB9A
SCHEMBL8043016 0.77 MAPT (0.51) SERPINE1ALDH1A1MAPTTDP1L3MBTL1
SCHEMBL8083684 0.77 SERPINE1 (0.40) SERPINE1ALDH1A1MAPTMAPK1LMNA
SCHEMBL9035671 0.76 MAPT (0.48) SERPINE1ALDH1A1MAPTTDP1L3MBTL1
SCHEMBL8090682 0.76 MAPT (0.42) SERPINE1ALDH1A1MAPTLMNARAB9A
SCHEMBL8344989 0.75 ALDH1A1 (0.41) ALDH1A1MAPTL3MBTL1LMNATSHR

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5955461-A Quinoxalinedione derivatives, their production and use in pharmaceutical agents SCHERING AKTIENGESELLSCHAFT (DE) 1999-09-21 US disclosed
US-5750525-A Quinoxalinedione derivatives, their production and use in pharmaceutical agents SCHERING AKTIENGESELLSCHAFT (DE) 1998-05-12 US disclosed