SCHEMBL13189703

SCHEMBL13189703

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

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ P2RX1 P51575 13/20 1.00
▸ TMPRSS4 Q9NRS4 8/20 0.70
▸ P2RX4 Q99571 4/20 0.70
▸ P2RX7 Q99572 4/20 0.70
▸ SLC2A1 P11166 1/20 0.70
▸ MEN1 O00255 1/20 0.60
▸ IKBKB O14920 1/20 0.60
▸ CHUK O15111 1/20 0.60
▸ KDR P35968 1/20 0.60
▸ FLT3 P36888 1/20 0.60
▸ KMT2A Q03164 1/20 0.60
▸ MYLK Q15746 1/20 0.60
▸ MAP4K5 Q9Y4K4 1/20 0.60
▸ FADS1 O60427 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
SCHEMBL8406630 0.86 P2RX1 (0.75) P2RX1P2RX4P2RX7MEN1KMT2A
SCHEMBL24824526 0.86 P2RX1 (0.75) P2RX1TMPRSS4P2RX4P2RX7SLC2A1
SCHEMBL14363282 0.85 P2RX1 (0.74) P2RX1TMPRSS4P2RX4P2RX7SLC2A1
SCHEMBL4270372 0.85 FADS1 (0.81) P2RX1TMPRSS4P2RX4P2RX7SLC2A1
SCHEMBL30771745 0.85 FADS1 (0.81) P2RX1TMPRSS4P2RX4P2RX7SLC2A1
SCHEMBL13189706 0.84 P2RX1 (0.72) P2RX1TMPRSS4P2RX4P2RX7SLC2A1
SCHEMBL1462221 0.83 P2RX1 (0.71) P2RX1TMPRSS4P2RX4P2RX7SLC2A1
SCHEMBL11932152 0.82 P2RX1 (1.00) P2RX1TMPRSS4P2RX4P2RX7SLC2A1
SCHEMBL29386800 0.82 TMPRSS4 (1.00) P2RX1TMPRSS4P2RX4P2RX7SLC2A1
SCHEMBL330629 0.82 TMPRSS4 (1.00) P2RX1TMPRSS4P2RX4P2RX7SLC2A1

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-2010101648-A1 GLUTAMATE RECEPTOR MODULATORS AND THERAPEUTIC AGENTS WOOD RICHARD D (US) 2010-09-10 — — WO disclosed
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