SCHEMBL6211641

SCHEMBL6211641

O=C1C2[C@H]3C=C[C@@H](C3)N2C(=O)N1c1ccc([N+](=O)[O-])c2ccccc12

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AR P10275 9/20 0.64
CTSB P07858 3/20 0.44
ALDH1A1 P00352 3/20 0.41
TDP1 Q9NUW8 2/20 0.35
NPC1 O15118 1/20 0.35
POLB P06746 1/20 0.35
MAPT P10636 1/20 0.35
MAPK1 P28482 1/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
GAA P10253 1/20 0.35
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL13964225 1.00 AR (0.64) ARCTSBALDH1A1TDP1NPC1
SCHEMBL4043950 1.00 AR (0.64) ARCTSBALDH1A1TDP1NPC1
SCHEMBL4043947 1.00 AR (0.64) ARCTSBALDH1A1TDP1NPC1
SCHEMBL4043945 1.00 AR (0.64) ARCTSBALDH1A1TDP1NPC1
SCHEMBL5865622 0.81 AR (0.42) ARHTT
SCHEMBL5865627 0.81 AR (0.42) ARHTT
SCHEMBL5865623 0.81 AR (0.42) ARHTT
SCHEMBL13964571 0.81 AR (0.42) ARALDH1A1MAPT
SCHEMBL4044762 0.79 MAPT (0.45) ARALDH1A1POLBMAPTHTT
SCHEMBL4037553 0.79 MAPT (0.45) ARALDH1A1POLBMAPTHTT

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1463728-A4 FUSED CYCLIC MODULATORS OF NUCLEAR HORMONE RECEPTOR FUNCTION BRISTOL MYERS SQUIBB CO (US) 2005-12-21 EP claimed
EP-1463728-A2 FUSED CYCLIC MODULATORS OF NUCLEAR HORMONE RECEPTOR FUNCTION Bristol-Myers Squibb Company (US) 2004-10-06 EP claimed
WO-2003053354-A2 FUSED CYCLIC MODULATORS OF NUCLEAR HORMONE RECEPTOR FUNCTION BRISTOL-MYERS SQUIBB COMPANY (US) 2003-07-03 WO claimed