SCHEMBL29463244

SCHEMBL29463244

CCOC(=O)c1cc2cc([N+](=O)[O-])ccc2n1CC(F)(F)F

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOD2 Q9HC29 2/20 0.49
NOD1 Q9Y239 2/20 0.49
MAPT P10636 2/20 0.47
CCR2 P41597 1/20 0.46
ELANE P08246 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
F2 P00734 2/20 0.42
PLAU P00749 2/20 0.42
CTRB1 P17538 2/20 0.42
NPC1 O15118 1/20 0.42
MAPK1 P28482 1/20 0.42
GAA P10253 1/20 0.42
RAB9A P51151 1/20 0.42
HTT P42858 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
KDM4E B2RXH2 1/20 0.41
CRHBP P24387 1/20 0.41
CRHR2 Q13324 1/20 0.41

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
SCHEMBL23045583 1.00 NOD2 (0.49) NOD2NOD1MAPTCCR2ELANE
SCHEMBL4196083 0.87 NOD2 (0.54) NOD2NOD1MAPTCCR2ELANE
SCHEMBL16732758 0.85 MAPT (0.54) NOD2NOD1MAPTCCR2ELANE
SCHEMBL5889460 0.85 MAPT (0.53) NOD2NOD1MAPTCCR2ELANE
SCHEMBL29463270 0.84 NOD2 (0.49) NOD2NOD1MAPTCCR2ELANE
SCHEMBL23045592 0.84 NOD2 (0.49) NOD2NOD1MAPTCCR2ELANE
SCHEMBL23045560 0.84 NOD2 (0.51) NOD2NOD1MAPTCCR2ELANE
SCHEMBL23045588 0.84 NOD2 (0.51) NOD2NOD1MAPTCCR2ELANE
SCHEMBL29463273 0.84 NOD2 (0.51) NOD2NOD1MAPTCCR2ELANE
SCHEMBL29463226 0.84 NOD2 (0.51) NOD2NOD1MAPTCCR2ELANE

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
CN-114302874-A Indole carboxamide derivatives and pharmaceutical compositions comprising same 国际药品株式会社 2022-04-08 CN disclosed