SCHEMBL8098464

SCHEMBL8098464

CCCCOC(=O)COc1cc(NCP(=O)(OCC)OCC)c([N+](=O)[O-])cc1C(F)(F)F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
LMNA P02545 4/20 0.38
MAPT P10636 3/20 0.38
KMT2A Q03164 2/20 0.38
MAPK1 P28482 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
AKR1C3 P42330 1/20 0.35
AKR1C2 P52895 1/20 0.35
AKR1C1 Q04828 1/20 0.35
KDM4E B2RXH2 1/20 0.35
POLB P06746 1/20 0.35
PLA2G4B P0C869 1/20 0.35
SERPINE1 P05121 1/20 0.34
GAA P10253 1/20 0.34
CYP1A2 P05177 2/20 0.34
NPC1 O15118 1/20 0.34
CYP2C9 P11712 1/20 0.34
RAB9A P51151 1/20 0.34

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
SCHEMBL8602899 0.86 ALDH1A1 (0.39) ALDH1A1TDP1KMT2AL3MBTL1KDM4E
SCHEMBL8603854 0.84 TDP1 (0.43) ALDH1A1TDP1LMNAMAPTKMT2A
SCHEMBL8091881 0.81 MAPT (0.43) ALDH1A1TDP1LMNAMAPTKMT2A
SCHEMBL8091901 0.80 LMNA (0.40) ALDH1A1LMNAMAPTKMT2AMAPK1
SCHEMBL8090679 0.78 MAPT (0.43) ALDH1A1LMNAMAPTKMT2ASMN1; SMN2
SCHEMBL8092253 0.78 USP10 (0.48) ALDH1A1LMNAMAPTKMT2ASMN1; SMN2
SCHEMBL8091947 0.77 SERPINE1 (0.41) ALDH1A1LMNAMAPTKMT2AL3MBTL1
SCHEMBL8606858 0.77 MEN1 (0.39) ALDH1A1TDP1LMNAMAPTKMT2A
SCHEMBL8083681 0.75 MAPT (0.41) ALDH1A1TDP1LMNAMAPTKMT2A
SCHEMBL8171359 0.75 SERPINE1 (0.39) ALDH1A1TDP1LMNAMAPTKMT2A

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