SCHEMBL5367306

SCHEMBL5367306

O=C(S)N1C=CC=Cc2ccccc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.42
TSHR P16473 1/20 0.42
MAPK1 P28482 1/20 0.42
SCN4A P35499 1/20 0.42
SCN5A Q14524 1/20 0.42
SCN9A Q15858 1/20 0.42
P2RX4 Q99571 14/20 0.40
P2RX1 P51575 5/20 0.40
P2RX3 P56373 5/20 0.40
P2RX7 Q99572 2/20 0.39
PTBP1 P26599 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
MTNR1A P48039 2/20 0.34
MTNR1B P49286 2/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
GRIN1 Q05586 1/20 0.33
GRIN2A Q12879 1/20 0.33
GRIN2B Q13224 1/20 0.33

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
SCHEMBL3687782 0.84 P2RX4 (0.44) LMNATSHRMAPK1SCN4ASCN5A
SCHEMBL1248214 0.82 P2RX4 (0.46) LMNATSHRMAPK1SCN4ASCN5A
SCHEMBL3691734 0.82 LMNA (0.55) LMNATSHRMAPK1SCN4ASCN5A
SCHEMBL10653232 0.78 LMNA (0.39) LMNATSHRMAPK1SCN4ASCN5A
SCHEMBL5367522 0.76 P2RX4 (0.37) LMNATSHRMAPK1SCN4ASCN5A
SCHEMBL8672568 0.74 P2RX4 (0.46) LMNATSHRMAPK1SCN4ASCN5A
SCHEMBL5172363 0.74 BCHE (0.46) LMNATSHRMAPK1SCN4ASCN5A
SCHEMBL9389647 0.73 L3MBTL1 (0.50) LMNATSHRP2RX4SMN1; SMN2KMT2A
SCHEMBL1246144 0.71 LMNA (0.39) LMNATSHRMAPK1SCN4ASCN5A
SCHEMBL1133635 0.69 P2RX4 (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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007146230-A2 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS MERCK & CO., INC. (US) 2007-12-21 WO claimed