SCHEMBL2738802

SCHEMBL2738802

O=C(NP(=O)(O)Oc1ccccc1)N1c2ccccc2C=Cc2ccccc21

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
P2RX4 Q99571 13/20 0.52
LMNA P02545 1/20 0.44
TSHR P16473 1/20 0.44
MAPK1 P28482 1/20 0.44
SCN4A P35499 1/20 0.44
SCN5A Q14524 1/20 0.44
SCN9A Q15858 1/20 0.44
P2RX1 P51575 3/20 0.44
P2RX3 P56373 3/20 0.44
P2RX7 Q99572 2/20 0.44
SRC P12931 1/20 0.41
GRIN1 Q05586 3/20 0.40
GRIN2A Q12879 3/20 0.40
GRIN2B Q13224 3/20 0.40
MTNR1A P48039 1/20 0.40
MTNR1B P49286 1/20 0.40

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
SCHEMBL2738803 0.83 P2RX4 (0.58) P2RX4LMNATSHRMAPK1SCN4A
SCHEMBL2738800 0.83 P2RX4 (0.51) P2RX4LMNATSHRMAPK1SCN4A
SCHEMBL220291 0.81 P2RX4 (0.58) P2RX4LMNATSHRMAPK1SCN4A
SCHEMBL21473321 0.76 P2RX4 (0.57) P2RX4LMNATSHRMAPK1SCN4A
SCHEMBL220840 0.75 P2RX4 (0.59) P2RX4LMNATSHRMAPK1SCN4A
SCHEMBL220994 0.74 P2RX4 (0.54) P2RX4LMNATSHRMAPK1SCN4A
SCHEMBL14714325 0.71 P2RX4 (0.67) P2RX4LMNATSHRMAPK1SCN4A
SCHEMBL15603438 0.70 P2RX4 (0.66) P2RX4LMNATSHRMAPK1SCN4A
SCHEMBL11113845 0.69 P2RX4 (0.67) P2RX4LMNATSHRMAPK1SCN4A
SCHEMBL11721111 0.68 P2RX4 (0.71) 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-8088918-B2 Noncardiotoxic pharmaceutical compounds WILLIAMSBURG HOLDINGS LLC (US) 2012-01-03 US disclosed
US-8088918-B2 Noncardiotoxic pharmaceutical compounds WILLIAMSBURG HOLDINGS LLC (US) 2012-01-03 US disclosed