SCHEMBL9030626

SCHEMBL9030626

CC1COc2cc(F)cc([N+](=O)[O-])c2N1

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PGR P06401 1/20 0.35
AR P10275 1/20 0.33
MAPT P10636 6/20 0.32
MEN1 O00255 1/20 0.32
POLB P06746 1/20 0.32
KMT2A Q03164 1/20 0.32
MCL1 Q07820 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
ATM Q13315 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
ALDH1A1 P00352 2/20 0.31
LMNA P02545 1/20 0.31
GAA P10253 1/20 0.31
HTT P42858 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
AKR1B1 P15121 1/20 0.31
MAPK1 P28482 1/20 0.30

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
SCHEMBL9030621 1.00 PGR (0.35) PGRARMAPTMEN1POLB
SCHEMBL9030022 0.84 PNMT (0.37) MAPTMEN1KMT2AL3MBTL1TDP1
SCHEMBL9030012 0.84 PNMT (0.37) MAPTMEN1KMT2AL3MBTL1TDP1
SCHEMBL9031231 0.83 AKR1B1 (0.36) MAPTMEN1POLBKMT2AMCL1
SCHEMBL9031240 0.83 AKR1B1 (0.36) MAPTMEN1POLBKMT2AMCL1
SCHEMBL7389556 0.77 CHRNB4 (0.40) MAPTMEN1POLBKMT2AL3MBTL1
SCHEMBL9030228 0.77 CHRNB4 (0.40) MAPTMEN1POLBKMT2AL3MBTL1
SCHEMBL9030857 0.75 AR (0.43) PGRARMAPTATMTDP1
SCHEMBL9029949 0.75 AR (0.33) AR
SCHEMBL9029956 0.75 AR (0.33) AR

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-0732334-A1 Piperidine derivatives, process for their preparation and their therapeutic application SYNTHELABO (FR) 1996-09-18 EP disclosed