SCHEMBL11282186

SCHEMBL11282186

O=C(O)/C=C(/C(=O)O)N1C=CN=Cc2ccccc21

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
P2RX4 Q99571 3/20 0.33
LMNA P02545 1/20 0.32
TSHR P16473 1/20 0.32
MAPK1 P28482 1/20 0.32
SCN4A P35499 1/20 0.32
SCN5A Q14524 1/20 0.32
SCN9A Q15858 1/20 0.32
PTBP1 P26599 1/20 0.31
P2RX1 P51575 1/20 0.31
P2RX3 P56373 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
P2RX7 Q99572 1/20 0.31
GAA P10253 1/20 0.30

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
SCHEMBL7334709 0.77 LMNA (0.47) P2RX4LMNATSHRMAPK1SCN4A
SCHEMBL11741326 0.75 P2RX4 (0.42) P2RX4LMNATSHRMAPK1SCN4A
SCHEMBL5803934 0.74 P2RX4 (0.33) P2RX4LMNATSHRMAPK1SCN4A
SCHEMBL5804812 0.69 SMN1; SMN2 (0.48) LMNATSHRSMN1; SMN2GAA
SCHEMBL8423853 0.68 P2RX4 (0.35) P2RX4PTBP1P2RX1P2RX3SMN1; SMN2
SCHEMBL11667029 0.68 LMNA (0.33) P2RX4LMNATSHRMAPK1SCN4A
SCHEMBL11882961 0.67 LMNA (0.31) LMNATSHRMAPK1SCN4ASCN5A
SCHEMBL3760901 0.65 CES2 (0.31) P2RX4NPSR1GAA
SCHEMBL7339454 0.65 LMNA (0.40) P2RX4LMNATSHRMAPK1SCN4A
SCHEMBL6610178 0.65 LMNA (0.40) P2RX4LMNATSHRMAPK1SCN4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4347364-A INTERMEDIATES THEREFOR HOFFMANN-LA ROCHE INC. (US) 1982-08-31 US disclosed
US-4307237-A ANTICONVULSANTS, SEDATIVES, MUSCLE RELAXANTS HOFFMANN-LA ROCHE INC. (US) 1981-12-22 US disclosed