SCHEMBL8091902

SCHEMBL8091902

COc1ccc(Oc2cc(NCP(=O)(O)O)c([N+](=O)[O-])cc2C(F)(F)F)cc1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SERPINE1 P05121 1/20 0.49
LMNA P02545 5/20 0.41
SMN1; SMN2 Q16637 5/20 0.41
MAPT P10636 8/20 0.40
KDM4E B2RXH2 1/20 0.40
KMT2A Q03164 5/20 0.39
MEN1 O00255 4/20 0.39
ALDH1A1 P00352 2/20 0.39
ESRRA P11474 1/20 0.39
HPGD P15428 1/20 0.39
HTT P42858 1/20 0.38
NPC1 O15118 4/20 0.38
RAB9A P51151 4/20 0.38
EPHX2 P34913 1/20 0.38
MAPK1 P28482 1/20 0.38
GAA P10253 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 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
SCHEMBL8083705 0.90 SERPINE1 (0.49) SERPINE1LMNASMN1; SMN2MAPTKMT2A
SCHEMBL8091853 0.90 SERPINE1 (0.52) SERPINE1LMNASMN1; SMN2MAPTKDM4E
SCHEMBL8091918 0.88 SERPINE1 (0.50) SERPINE1LMNASMN1; SMN2MAPTKMT2A
SCHEMBL8606858 0.87 MEN1 (0.39) SERPINE1LMNASMN1; SMN2MAPTKDM4E
SCHEMBL8083815 0.84 SERPINE1 (0.61) SERPINE1LMNASMN1; SMN2MAPTKMT2A
SCHEMBL8090680 0.80 SERPINE1 (0.47) SERPINE1LMNAMAPTKDM4EKMT2A
SCHEMBL8091742 0.78 SERPINE1 (0.52) SERPINE1LMNASMN1; SMN2MAPTKMT2A
SCHEMBL8083681 0.78 MAPT (0.41) SERPINE1LMNASMN1; SMN2MAPTKDM4E
SCHEMBL8083684 0.78 SERPINE1 (0.40) SERPINE1LMNASMN1; SMN2MAPTKDM4E
SCHEMBL8092253 0.77 USP10 (0.48) SERPINE1LMNASMN1; SMN2MAPTKDM4E

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