SCHEMBL7848869

SCHEMBL7848869

NC(=O)c1nc(Cc2cccc(O)c2)nc(OCCO)c1Oc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DHPS P49366 8/20 0.49
ADORA3 P0DMS8 1/20 0.36
ADORA2A P29274 1/20 0.36
ADORA1 P30542 1/20 0.36
DRD2 P14416 1/20 0.36
DRD4 P21917 1/20 0.36
ADRA1D P25100 1/20 0.36
ADRA1A P35348 1/20 0.36
ADRA1B P35368 1/20 0.36
DRD3 P35462 1/20 0.36
P2RX3 P56373 1/20 0.35
EGLN1 Q9GZT9 1/20 0.35
PLA2G10 O15496 2/20 0.35
PLA2G2A P14555 1/20 0.35
SIRT2 Q8IXJ6 1/20 0.34
DHFR P00374 1/20 0.34
IKBKB O14920 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
SCHEMBL7850930 0.89 DHPS (0.56) DHPSADORA1PLA2G10IKBKB
SCHEMBL7848871 0.87 DHPS (0.62) DHPSADORA3ADORA2AADORA1DHFR
SCHEMBL7849034 0.82 DHPS (0.64) DHPS
SCHEMBL7850931 0.76 DHPS (0.69) DHPSADORA1DHFR
SCHEMBL8638012 0.74 DHPS (0.39) DHPS
SCHEMBL7849040 0.70 DHPS (0.81) DHPSADORA1DHFR
SCHEMBL31037808 0.66 DHPS (0.81) DHPS
SCHEMBL31037810 0.65 DHPS (0.79) DHPS
SCHEMBL31037833 0.65 DHPS (0.79) DHPS
SCHEMBL13729600 0.64 P2RX3 (0.46) P2RX3

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
EP-0713875-B1 Sulfonamides HOFFMANN LA ROCHE (CH) 2001-03-21 EP claimed
WO-2001049289-A1 PHARMACEUTICAL AND VETERINARY USES OF ENDOTHELIN ANTAGONISTS TEXAS BIOTECHNOLOGY CORPORATION (US) 2001-07-12 WO disclosed