SCHEMBL21770962

SCHEMBL21770962

CCNP(=O)(NCC)OC(C)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
NPSR1 Q6W5P4 1/20 0.47
MAPT P10636 4/20 0.44
ALDH1A1 P00352 7/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
BCHE P06276 1/20 0.41
ACHE P22303 1/20 0.41
TP53 P04637 1/20 0.40
CYP3A4 P08684 1/20 0.40
THRB P10828 1/20 0.40
MAPK1 P28482 1/20 0.40
HSD17B10 Q99714 1/20 0.40
KDM4E B2RXH2 2/20 0.40

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
SCHEMBL12597673 0.85 LMNA (0.42) LMNAMEN1KMT2ANPSR1MAPT
SCHEMBL12208145 0.83 LMNA (0.44) LMNAMEN1KMT2ANPSR1MAPT
SCHEMBL27831964 0.81 LMNA (0.44) LMNAMEN1KMT2ANPSR1MAPT
SCHEMBL27811655 0.81 LMNA (0.44) LMNAMEN1KMT2ANPSR1MAPT
SCHEMBL735218 0.80 MAPT (0.45) LMNAMEN1KMT2ANPSR1MAPT
SCHEMBL13318603 0.77 MAPT (0.43) LMNAMEN1KMT2ANPSR1MAPT
SCHEMBL735221 0.77 CA1 (0.53) LMNAMEN1KMT2ANPSR1MAPT
SCHEMBL9240301 0.77 LMNA (0.44) LMNAMEN1KMT2ANPSR1MAPT
SCHEMBL8093263 0.76 CA1 (0.50) LMNAMEN1KMT2ANPSR1MAPT
SCHEMBL20279655 0.72 MAPT (0.43) LMNAMEN1KMT2ANPSR1MAPT

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
EP-3390415-B1 (R)- AND (S)-1-(3-(3-N,N-DIMETHYLAMINOCARBONYL)PHENOXYL-4-NITROPHENYL)-1-ETHYL-N,N'-BIS (ETHYLENE)PHOSPHORAMIDATE, COMPOSITIONS AND METHODS FOR THEIR USE AND PREPARATION OBI PHARMA INC (TW) 2020-02-26 EP disclosed