SCHEMBL9328867

SCHEMBL9328867

O=C(Nc1cccc(Cl)c1)c1cc(C(F)(F)F)ccc1O

nearest known ligand 0.81

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TMPRSS4 Q9NRS4 9/20 0.81
P2RX1 P51575 8/20 0.81
P2RX4 Q99571 4/20 0.81
P2RX7 Q99572 4/20 0.81
SLC2A1 P11166 1/20 0.81
MEN1 O00255 1/20 0.66
IKBKB O14920 1/20 0.66
CHUK O15111 1/20 0.66
KDR P35968 1/20 0.66
FLT3 P36888 1/20 0.66
KMT2A Q03164 1/20 0.66
MYLK Q15746 1/20 0.66
MAP4K5 Q9Y4K4 1/20 0.66
FADS1 O60427 3/20 0.64
LRRK2 Q5S007 2/20 0.62
AURKA O14965 1/20 0.58

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
SCHEMBL29386800 0.90 TMPRSS4 (1.00) TMPRSS4P2RX1P2RX4P2RX7SLC2A1
SCHEMBL330629 0.90 TMPRSS4 (1.00) TMPRSS4P2RX1P2RX4P2RX7SLC2A1
SCHEMBL28199416 0.85 P2RX1 (0.68) TMPRSS4P2RX1P2RX4P2RX7SLC2A1
SCHEMBL11932152 0.84 P2RX1 (1.00) TMPRSS4P2RX1P2RX4P2RX7SLC2A1
SCHEMBL331631 0.82 TMPRSS4 (1.00) TMPRSS4P2RX1P2RX4P2RX7SLC2A1
SCHEMBL29617517 0.82 TMPRSS4 (1.00) TMPRSS4P2RX1P2RX4P2RX7SLC2A1
SCHEMBL130439 0.80 P2RX1 (0.81) TMPRSS4P2RX1P2RX4P2RX7SLC2A1
SCHEMBL330059 0.80 TMPRSS4 (0.90) TMPRSS4P2RX1P2RX4P2RX7SLC2A1
Imd-0354 SCHEMBL29406220 0.80 TMPRSS4 (1.00) TMPRSS4P2RX1P2RX4P2RX7SLC2A1
Imd-0354 SCHEMBL129165 0.80 TMPRSS4 (1.00) TMPRSS4P2RX1P2RX4P2RX7SLC2A1

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-0586386-A1 SUBSTITUTED SALICYLAMIDES, AGENTS TO COMBAT PLANT DISEASES BAYER AG (DE) 1994-03-16 EP disclosed
WO-1992017066-A1 SUBSTITUTED SALICYLAMIDES, AGENTS TO COMBAT PLANT DISEASES BAYER AKTIENGESELLSCHAFT (DE) 1992-10-15 WO disclosed