SCHEMBL11526604

SCHEMBL11526604

O=[N+]([O-])c1ccc2c(c1)C(c1ccccc1)=NCc1cc(CO)nn1-2

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.59
HPGD P15428 1/20 0.50
PDE4D Q08499 1/20 0.50
CHRM1 P11229 1/20 0.49
GABRA1 P14867 2/20 0.44
GABRG2 P18507 2/20 0.44
GABRB3 P28472 2/20 0.44
GABRA5 P31644 2/20 0.44
GABRA3 P34903 2/20 0.44
CCKBR P32239 1/20 0.44
OPRK1 P41145 1/20 0.44
MC3R P41968 1/20 0.44
GABRA2 P47869 1/20 0.44
GABRB2 P47870 1/20 0.44
GHSR Q92847 1/20 0.44
MAPT P10636 4/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
F2R P25116 1/20 0.43

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
SCHEMBL11525305 0.89 LMNA (0.59) LMNAHPGDPDE4DCHRM1GABRA1
Methane SCHEMBL11526611 0.87 LMNA (0.59) LMNAHPGDPDE4DCHRM1GABRA1
SCHEMBL11525670 0.85 LMNA (0.55) LMNAHPGDPDE4DCHRM1GABRA1
SCHEMBL11525302 0.83 LMNA (0.57) LMNAHPGDPDE4DCHRM1GABRA1
SCHEMBL11528229 0.82 OPRK1 (0.53) LMNAHPGDPDE4DCHRM1GABRA1
SCHEMBL7380036 0.79 LMNA (0.57) LMNAHPGDPDE4DCHRM1GABRA1
SCHEMBL10403278 0.77 LMNA (0.57) LMNAHPGDPDE4DCHRM1GABRA1
SCHEMBL11615590 0.77 LMNA (0.57) LMNAHPGDPDE4DCHRM1GABRA1
SCHEMBL11509112 0.76 LMNA (0.64) LMNAHPGDPDE4DCHRM1GABRA1
SCHEMBL11617406 0.76 LMNA (0.55) LMNAHPGDPDE4DCHRM1GABRA1

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
US-4157331-A SEDATIVES, TRANQUILIZERS, ANTICONVULSANTS, MUSCLE RELAXANTS HOFFMANN-LA ROCHE INC. (US) 1979-06-05 US disclosed
US-4153799-A ANXIOLYTICS, SEDATIVES, ANTICONVULSANTS, MUSCLE RELAXANTS, PYRAZOLE INTERMEDIATES HOFFMANN-LA ROCHE INC. (US) 1979-05-08 US disclosed
US-4130716-A ANXIOLYTICS, SEDATIVE, MUSCLE RELAXANT, ANTICONVULSANT HOFFMANN-LA ROCHE INC. (US) 1978-12-19 US disclosed