SCHEMBL14033476

SCHEMBL14033476

O=C1[C@@H]2C3CC(CN3C(=O)c3ccc(F)cc3)N2C(=O)N1c1ccc([N+](=O)[O-])c2ccccc12

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AR P10275 12/20 0.59
CTSB P07858 2/20 0.35
LMNA P02545 3/20 0.33
ALDH1A1 P00352 3/20 0.33
NPSR1 Q6W5P4 1/20 0.33
MAPT P10636 4/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
HTT P42858 1/20 0.33
HSD11B1 P28845 1/20 0.33
MAPK1 P28482 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL4040446 1.00 AR (0.59) ARCTSBLMNAALDH1A1NPSR1
SCHEMBL4048739 0.93 AR (0.63) ARCTSBLMNAALDH1A1MAPT
SCHEMBL4038981 0.93 AR (0.63) ARCTSBLMNAALDH1A1MAPT
SCHEMBL4042740 0.93 AR (0.63) ARCTSBLMNAALDH1A1MAPT
SCHEMBL4219668 0.91 AR (0.57) ARCTSBLMNAALDH1A1MAPT
SCHEMBL6376932 0.91 AR (0.57) ARCTSBLMNAALDH1A1MAPT
SCHEMBL6212517 0.91 AR (0.57) ARCTSBLMNAALDH1A1MAPT
SCHEMBL6492936 0.87 AR (0.77) ARCTSBALDH1A1
SCHEMBL5097882 0.87 AR (0.57) ARALDH1A1MAPTSMN1; SMN2HTT
SCHEMBL5088693 0.87 AR (0.57) ARCTSBLMNAALDH1A1

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-7432267-B2 Fused cyclic modulators of nuclear hormone receptor function BRISTOL-MYERS SQUIBB COMAPNY (US) 2008-10-07 US disclosed