SCHEMBL8346192

SCHEMBL8346192

CCC(C)OP(=O)(O)CNc1ccc(F)cc1[N+](=O)[O-]

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KCNMA1 Q12791 1/20 0.43
HCAR3 P49019 6/20 0.40
KMT2A Q03164 2/20 0.39
MAPT P10636 6/20 0.39
MAPK1 P28482 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
ALDH1A1 P00352 5/20 0.38
BCHE P06276 1/20 0.38
ACHE P22303 1/20 0.38
RAB9A P51151 2/20 0.38
PKM P14618 2/20 0.38
PTGER4 P35408 1/20 0.38
MEN1 O00255 1/20 0.38
HTT P42858 2/20 0.38
NPC1 O15118 1/20 0.38
CRHBP P24387 1/20 0.38
CRHR2 Q13324 1/20 0.38
LMNA P02545 1/20 0.37

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
SCHEMBL7913903 0.87 POLB (0.49) KCNMA1HCAR3KMT2AMAPTMAPK1
SCHEMBL7349273 0.79 KCNMA1 (0.50) KCNMA1HCAR3KMT2AMAPTMAPK1
SCHEMBL8091948 0.79 SERPINE1 (0.41) KCNMA1HCAR3KMT2AMAPTMAPK1
SCHEMBL8171363 0.78 SERPINE1 (0.40) HCAR3KMT2AMAPTMAPK1TDP1
SCHEMBL8342528 0.76 ALDH1A1 (0.38) KCNMA1HCAR3KMT2AMAPTMAPK1
SCHEMBL8123431 0.76 MAPT (0.43) KCNMA1HCAR3KMT2AMAPTMAPK1
SCHEMBL8621708 0.76 MAPT (0.50) KMT2AMAPTMAPK1L3MBTL1TDP1
SCHEMBL8083684 0.75 SERPINE1 (0.40) KMT2AMAPTMAPK1ALDH1A1RAB9A
SCHEMBL8090682 0.74 MAPT (0.42) KMT2AMAPTALDH1A1RAB9AMEN1
SCHEMBL8617767 0.74 HSP90AA1 (0.42) KMT2AMAPTMAPK1TDP1ALDH1A1

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