SCHEMBL10949604

SCHEMBL10949604

CCCCCCCCCCCCOc1c(OC)cc([N+](=O)[O-])c2nccc(C)c12

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.39
LMNA P02545 1/20 0.39
THRA P10827 1/20 0.38
THRB P10828 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
PLA2G4B P0C869 1/20 0.37
TXNRD1 Q16881 3/20 0.37
CTSB P07858 1/20 0.37
GSR P00390 1/20 0.37
S1PR2 O95136 1/20 0.37
S1PR1 P21453 1/20 0.37
S1PR3 Q99500 1/20 0.37
LPAR2 Q9HBW0 1/20 0.37
ESR1 P03372 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL10949964 1.00 SMN1; SMN2 (0.39) SMN1; SMN2LMNATHRATHRBGAA
SCHEMBL10942288 1.00 SMN1; SMN2 (0.39) SMN1; SMN2LMNATHRATHRBGAA
SCHEMBL10943626 0.99 LMNA (0.39) SMN1; SMN2LMNATHRATHRBGAA
SCHEMBL1379797 0.89 SMN1; SMN2 (0.39) SMN1; SMN2LMNATHRATHRBGAA
SCHEMBL6273903 0.88 LMNA (0.39) SMN1; SMN2LMNATHRATHRBGAA
SCHEMBL9719112 0.87 PDE4A (0.41) MAPTTXNRD1CTSB
SCHEMBL9719246 0.87 PDE4A (0.41) MAPTTXNRD1CTSB
SCHEMBL9719159 0.87 PDE4A (0.41) MAPTTXNRD1CTSB
SCHEMBL9719167 0.87 PDE4A (0.41) MAPTTXNRD1CTSB
SCHEMBL9719136 0.87 PDE4A (0.41) MAPTTXNRD1CTSB

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-4554279-A PLASMODICIDAL THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE ARMY (US) 1985-11-19 US disclosed