SCHEMBL695443

SCHEMBL695443

C[Si]1(C)c2ccccc2-c2ccnn2-c2ccccc21

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 5/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
P2RX7 Q99572 1/20 0.34
GABRG2 P18507 3/20 0.33
GABRB3 P28472 3/20 0.33
GABRA5 P31644 3/20 0.33
POLB P06746 1/20 0.33
NR3C2 P08235 2/20 0.32
MDM2 Q00987 1/20 0.31
RORA P35398 1/20 0.31
RORC P51449 1/20 0.31
PDE10A Q9Y233 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
SCHEMBL697648 0.68 HSP90AA1 (0.41) HSP90AA1SMN1; SMN2GABRG2GABRB3GABRA5
SCHEMBL1107762 0.67 RORC (0.50) SMN1; SMN2POLBRORARORC
SCHEMBL29768232 0.67 RORC (0.50) SMN1; SMN2POLBRORARORC
SCHEMBL10128247 0.64 MAOA (0.44)
SCHEMBL626539 0.64 KCNN4 (0.55) HSP90AA1SMN1; SMN2NR3C2PDE10A
SCHEMBL625870 0.64 HSP90AA1 (0.68) HSP90AA1SMN1; SMN2NR3C2PDE10A
SCHEMBL28299535 0.63 HTR1A (0.47) SMN1; SMN2GABRG2GABRB3
SCHEMBL24414070 0.63 GAA (0.31)
SCHEMBL22992206 0.63 BRD4 (0.33)
SCHEMBL20997837 0.62 NOTUM (0.37) SMN1; SMN2P2RX7

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-20130317212-A1 LIGHT EMITTING MATERIALS FOR ELECTRONICS SOLVAY SA (BE) 2013-11-28 US disclosed
EP-2423214-A1 Light emitting materials for Electronics Solvay SA (BE) 2012-02-29 EP disclosed