SCHEMBL8091918

SCHEMBL8091918

O=C(O)c1ccc(Oc2cc(NCP(=O)(O)O)c([N+](=O)[O-])cc2C(F)(F)F)cc1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SERPINE1 P05121 6/20 0.50
HCAR3 P49019 4/20 0.41
AKR1C3 P42330 1/20 0.41
AKR1C2 P52895 1/20 0.41
HPGD P15428 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 3/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
TTR P02766 1/20 0.38
PPOX P50336 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
NPSR1 Q6W5P4 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
SCHEMBL8091853 0.90 SERPINE1 (0.52) SERPINE1HPGDSMN1; SMN2LMNAMAPT
SCHEMBL8091902 0.88 SERPINE1 (0.49) SERPINE1HPGDSMN1; SMN2LMNAMAPT
SCHEMBL8083705 0.88 SERPINE1 (0.49) SERPINE1HPGDSMN1; SMN2LMNAMAPT
SCHEMBL8083815 0.82 SERPINE1 (0.61) SERPINE1SMN1; SMN2LMNAMAPTMEN1
SCHEMBL8092253 0.79 USP10 (0.48) SERPINE1HPGDSMN1; SMN2LMNAMAPT
SCHEMBL8091742 0.79 SERPINE1 (0.52) SERPINE1SMN1; SMN2LMNAMAPTMEN1
SCHEMBL8092259 0.77 USP10 (0.44) SERPINE1SMN1; SMN2LMNAMAPTMEN1
SCHEMBL8083681 0.77 MAPT (0.41) SERPINE1HPGDSMN1; SMN2LMNAMAPT
SCHEMBL8083684 0.76 SERPINE1 (0.40) SERPINE1HPGDSMN1; SMN2LMNAMAPT
SCHEMBL8606858 0.76 MEN1 (0.39) SERPINE1HPGDSMN1; SMN2LMNAMAPT

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-6136805-A Quinoxaline dione derivatives, their production and their use in medicaments SCNERING AKTIENGESELLSCHAFT (DE) 2000-10-24 US disclosed