SCHEMBL17845883

SCHEMBL17845883

O=C(Nc1ccc(I)cc1)c1cc(Cl)ccc1O

nearest known ligand 0.82

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
P2RX1 P51575 11/20 0.82
TMPRSS4 Q9NRS4 9/20 0.72
P2RX4 Q99571 5/20 0.69
P2RX7 Q99572 5/20 0.69
KCNMA1 Q12791 3/20 0.68
MEN1 O00255 1/20 0.59
IKBKB O14920 1/20 0.59
CHUK O15111 1/20 0.59
KDR P35968 1/20 0.59
FLT3 P36888 1/20 0.59
KMT2A Q03164 1/20 0.59
MYLK Q15746 1/20 0.59
MAP4K5 Q9Y4K4 1/20 0.59

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
SCHEMBL14223810 0.91 P2RX1 (0.77) P2RX1TMPRSS4P2RX4P2RX7KCNMA1
SCHEMBL2169619 0.90 P2RX1 (1.00) P2RX1TMPRSS4P2RX4P2RX7KCNMA1
SCHEMBL29454776 0.90 P2RX1 (1.00) P2RX1TMPRSS4P2RX4P2RX7KCNMA1
SCHEMBL24438716 0.87 P2RX1 (0.87) P2RX1TMPRSS4P2RX4P2RX7KCNMA1
SCHEMBL30692659 0.87 P2RX1 (0.87) P2RX1TMPRSS4P2RX4P2RX7KCNMA1
SCHEMBL30887951 0.87 P2RX1 (0.60) P2RX1TMPRSS4P2RX4P2RX7KCNMA1
SCHEMBL2170423 0.87 P2RX1 (0.60) P2RX1TMPRSS4P2RX4P2RX7KCNMA1
SCHEMBL29211122 0.86 P2RX1 (0.64) P2RX1TMPRSS4P2RX4P2RX7KCNMA1
SCHEMBL24438815 0.84 P2RX1 (0.82) P2RX1TMPRSS4P2RX4P2RX7KCNMA1
SCHEMBL23685650 0.84 P2RX1 (0.82) P2RX1TMPRSS4P2RX4P2RX7KCNMA1

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-2016095878-A1 SUBSTITUTED DERIVATIVE OF OXYPHOSPHORUS ACIDS, ITS USE AND PHARMACEUTICAL PREPARATION CONTAINING IT UNIVERZITA KARLOVA V PRAZE (CZ) 2016-06-23 WO disclosed