SCHEMBL24460159

SCHEMBL24460159

C=Cc1cccc(F)c1NC(=O)c1cc(Cl)ccc1O

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ P2RX1 P51575 13/20 0.53
▸ P2RX4 Q99571 6/20 0.53
▸ P2RX7 Q99572 6/20 0.53
▸ TAS1R3 Q7RTX0 1/20 0.52
▸ TAS1R1 Q7RTX1 1/20 0.52
▸ TAS1R2 Q8TE23 1/20 0.52
▸ TMPRSS4 Q9NRS4 7/20 0.51
▸ KCNMA1 Q12791 3/20 0.50
▸ SLC2A1 P11166 1/20 0.49
▸ MEN1 O00255 1/20 0.46
▸ IKBKB O14920 1/20 0.46
▸ CHUK O15111 1/20 0.46
▸ KDR P35968 1/20 0.46
▸ FLT3 P36888 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ MYLK Q15746 1/20 0.46
▸ MAP4K5 Q9Y4K4 1/20 0.46

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
SCHEMBL30771732 0.87 P2RX1 (0.64) P2RX1P2RX4P2RX7TAS1R3TAS1R1
SCHEMBL18341307 0.87 P2RX1 (0.64) P2RX1P2RX4P2RX7TAS1R3TAS1R1
SCHEMBL24460206 0.78 TAS1R3 (0.72) P2RX1P2RX4P2RX7TAS1R3TAS1R1
SCHEMBL18341338 0.76 P2RX1 (0.68) P2RX1P2RX4P2RX7TMPRSS4KCNMA1
SCHEMBL30771722 0.76 P2RX1 (0.68) P2RX1P2RX4P2RX7TMPRSS4KCNMA1
SCHEMBL330391 0.76 P2RX1 (0.66) P2RX1P2RX4P2RX7TAS1R3TAS1R1
SCHEMBL4264405 0.73 P2RX1 (0.72) P2RX1P2RX4P2RX7TMPRSS4KCNMA1
SCHEMBL24460167 0.73 P2RX1 (0.71) P2RX1P2RX4P2RX7TAS1R3TAS1R1
SCHEMBL31238369 0.72 TAS1R3 (0.86) P2RX1P2RX4P2RX7TAS1R3TAS1R1
SCHEMBL13189556 0.71 P2RX1 (0.68) P2RX1P2RX4P2RX7TMPRSS4KCNMA1

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-2022109148-A1 SMALL MOLECULE INHIBITORS OF SARS-COV-2 INFECTIONS THE USA, AS REPRESENTED BY THE SECRETARY, DEPT. OF HEALTH AND HUMAN SERVICES (US) 2022-05-27 — — WO disclosed
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