SCHEMBL4971001

SCHEMBL4971001

ON1c2ccccc2C=Cc2ccccc21

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.52
TSHR P16473 1/20 0.52
MAPK1 P28482 1/20 0.52
SCN4A P35499 1/20 0.52
SCN5A Q14524 1/20 0.52
SCN9A Q15858 1/20 0.52
P2RX4 Q99571 14/20 0.48
P2RX1 P51575 5/20 0.45
P2RX3 P56373 5/20 0.45
P2RX7 Q99572 2/20 0.45
PTBP1 P26599 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
MTNR1A P48039 2/20 0.40
MTNR1B P49286 2/20 0.40
CHRM2 P08172 1/20 0.39
HTR1A P08908 1/20 0.39
ADRA2A P08913 1/20 0.39
CHRM1 P11229 1/20 0.39
DRD2 P14416 1/20 0.39

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
SCHEMBL18136099 0.84 P2RX4 (0.44) LMNATSHRMAPK1SCN4ASCN5A
SCHEMBL21082763 0.78 TLR9 (0.43) LMNATSHRMAPK1SCN4ASCN5A
SCHEMBL11163328 0.75 LMNA (0.37) LMNATSHRMAPK1SCN4ASCN5A
Bromide SCHEMBL11163151 0.74 LMNA (0.36) LMNATSHRMAPK1SCN4ASCN5A
SCHEMBL14345598 0.72 LMNA (0.46) LMNATSHRMAPK1SCN4ASCN5A
SCHEMBL2607158 0.72 MAPT (0.49) LMNATSHRMAPK1SCN4ASCN5A
SCHEMBL12175889 0.72 LMNA (0.52) LMNATSHRMAPK1SCN4ASCN5A
SCHEMBL12959709 0.72 LMNA (0.46) LMNATSHRMAPK1SCN4ASCN5A
SCHEMBL5894542 0.70 LMNA (0.41) LMNATSHRMAPK1SCN4ASCN5A
SCHEMBL5375186 0.70 LMNA (0.41) LMNATSHRMAPK1SCN4ASCN5A

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
EP-1981478-A2 CENTRAL ADMINISTRATION OF STABLE FORMULATIONS OF THERAPEUTIC AGENTS FOR CNS CONDITIONS Regents of the University of Colorado (US) 2008-10-22 EP disclosed
WO-2007084541-A2 CENTRAL ADMINISTRATION OF STABLE FORMULATIONS OF THERAPEUTIC AGENTS FOR CNS CONDITIONS REGENTS OF THE UNIVERSITY OF COLORADO (US) 2007-07-26 WO disclosed