SCHEMBL7333680

SCHEMBL7333680

O=C(O)CN1N=CC=Cc2ccccc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX4 Q99571 11/20 0.40
LMNA P02545 1/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
SCN4A P35499 1/20 0.39
SCN5A Q14524 1/20 0.39
SCN9A Q15858 1/20 0.39
CA12 O43570 1/20 0.39
CA9 Q16790 1/20 0.39
P2RX1 P51575 5/20 0.37
P2RX3 P56373 5/20 0.37
P2RX7 Q99572 2/20 0.36
PTBP1 P26599 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
APEX1 P27695 1/20 0.35
KDM4E B2RXH2 1/20 0.35
HSD17B10 Q99714 1/20 0.35
MTNR1A P48039 1/20 0.35
MTNR1B P49286 1/20 0.35

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
SCHEMBL27574649 0.86 MEN1 (0.41) P2RX4LMNATSHRMAPK1SCN4A
SCHEMBL6610171 0.86 LMNA (0.45) P2RX4LMNATSHRMAPK1SCN4A
SCHEMBL11709130 0.81 MAPK1 (0.34) P2RX4LMNATSHRMAPK1SCN4A
SCHEMBL6584861 0.79 ERCC5 (0.39) P2RX4P2RX1P2RX3P2RX7PTBP1
SCHEMBL9471391 0.78 LMNA (0.34) P2RX4LMNATSHRMAPK1SCN4A
SCHEMBL5068751 0.77 P2RX4 (0.42) P2RX4LMNATSHRMAPK1SCN4A
SCHEMBL4481010 0.76 CHRM2 (0.39) P2RX4LMNATSHRMAPK1SCN4A
SCHEMBL7064721 0.76 P2RX4 (0.39) P2RX4LMNATSHRMAPK1SCN4A
SCHEMBL7492324 0.74 L3MBTL1 (0.34) LMNATSHRSMN1; SMN2NPSR1KDM4E
SCHEMBL3100027 0.73 P2RX4 (0.54) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5952327-A NEUTRAL ENDOPEPTIDASE INHIBITORS; TREATMENT OF CARDIOVASCULAR DISORDERS SOLVAY PHARMACEUTICALS GMBH (DE) 1999-09-14 US disclosed