SCHEMBL6529925

SCHEMBL6529925

CN1C(=O)C(F)(F)c2cc(N)ccc21.[Fe]

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACVR1 Q04771 2/20 0.41
BMPR1B O00238 1/20 0.41
BMPR1A P36894 1/20 0.41
ACVRL1 P37023 1/20 0.41
POLB P06746 1/20 0.38
NOX1 Q9Y5S8 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
ADRA2A P08913 1/20 0.38
ADRA2B P18089 1/20 0.38
ADRA2C P18825 1/20 0.38
CHRM3 P20309 1/20 0.38
SLC6A2 P23975 1/20 0.38
HTR2C P28335 1/20 0.38
SLC6A4 P31645 1/20 0.38
DRD3 P35462 1/20 0.38
HTR2B P41595 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
NR1H2 P55055 1/20 0.37
NR1H3 Q13133 1/20 0.37

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
SCHEMBL3594548 0.98 ACVR1 (0.42) ACVR1BMPR1BBMPR1AACVRL1POLB
SCHEMBL26476507 0.79 PKM (0.55) ACVR1BMPR1BBMPR1AACVRL1POLB
SCHEMBL31251202 0.79 MEN1 (0.50) POLBMEN1KMT2APKMMAPT
SCHEMBL13993447 0.79 MEN1 (0.50) POLBMEN1KMT2APKMMAPT
SCHEMBL22667344 0.78 ALDH1A1 (0.50) ACVR1BMPR1BBMPR1AACVRL1POLB
SCHEMBL13234017 0.78 BMPR1B (0.40) ACVR1BMPR1BBMPR1AACVRL1MEN1
SCHEMBL5862203 0.78 ATAD2 (0.47) MEN1KMT2APKMCNR1GPR55
SCHEMBL30954700 0.77 OPRL1 (0.48) ACVR1BMPR1BBMPR1AACVRL1POLB
SCHEMBL21032697 0.77 PKM (0.39) ACVR1POLBNOX1MEN1KMT2A
SCHEMBL2488961 0.77 OPRL1 (0.48) POLBMEN1KMT2ANR1H2NR1H3

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
WO-2005082900-A2 OXAZOLIDINONE AMIDOXIMES AS ANTIBACTERIAL AGENTS PHARMACIA & UPJOHN COMPANY LLC (US) 2005-09-09 WO disclosed