SCHEMBL16796607

SCHEMBL16796607

O=C1CN=C(c2cccc(N(S(=O)(=O)c3ccccc3)S(=O)(=O)c3ccccc3)c2)c2[nH]c3ccccc3c2N1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX4 Q99571 1/20 0.41
MAPT P10636 1/20 0.37
TSHR P16473 1/20 0.37
ALOX12 P18054 1/20 0.37
GABRA1 P14867 1/20 0.36
GABRG2 P18507 1/20 0.36
GABRB3 P28472 1/20 0.36
GABRA5 P31644 1/20 0.36
GABRA3 P34903 1/20 0.36
GABRA2 P47869 1/20 0.36
GABRB2 P47870 1/20 0.36
ALDH1A1 P00352 1/20 0.36
CNR1 P21554 1/20 0.35
NTSR1 P30989 1/20 0.35
OPRK1 P41145 1/20 0.35
PDE4D Q08499 1/20 0.35
PTGS2 P35354 2/20 0.34
KMT2A Q03164 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CHRM4 P08173 1/20 0.34

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
SCHEMBL16796729 0.86 P2RX4 (0.43) P2RX4MAPTTSHRALOX12GABRA1
SCHEMBL16812977 0.82 GABRA1 (0.51) P2RX4MAPTTSHRALOX12GABRA1
SCHEMBL16796597 0.82 MMP2 (0.49) P2RX4MAPTALDH1A1KMT2A
SCHEMBL16796688 0.80 P2RX4 (0.47) P2RX4MAPTTSHRALOX12GABRA1
SCHEMBL16813006 0.79 P2RX4 (0.46) P2RX4MAPTTSHRALOX12GABRA1
SCHEMBL16813008 0.79 P2RX4 (0.46) P2RX4MAPTTSHRALOX12GABRA1
SCHEMBL16796615 0.79 P2RX4 (0.46) P2RX4MAPTTSHRALOX12GABRA1
SCHEMBL16813007 0.79 P2RX4 (0.62) P2RX4MAPTTSHRALOX12GABRA1
SCHEMBL16796606 0.79 P2RX4 (0.46) P2RX4MAPTTSHRALOX12GABRA1
SCHEMBL16812983 0.79 CNR1 (0.47) P2RX4MAPTTSHRALOX12GABRA1

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
WO-2015088565-A1 P2X4 RECEPTOR MODULATING COMPOUNDS AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC. (US) 2015-06-18 WO disclosed
WO-2015088565-A1 P2X4 RECEPTOR MODULATING COMPOUNDS AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC. (US) 2015-06-18 WO disclosed