SCHEMBL24460414

SCHEMBL24460414

Cc1ccc(O)c(C(=O)Nc2ccc(C(F)(F)F)cc2)c1

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX1 P51575 8/20 0.80
TMPRSS4 Q9NRS4 8/20 0.80
P2RX4 Q99571 4/20 0.71
P2RX7 Q99572 4/20 0.71
PLAU P00749 2/20 0.61
F2 P00734 1/20 0.61
F10 P00742 1/20 0.61
PLAT P00750 1/20 0.61
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
IKBKB O14920 1/20 0.56
CHUK O15111 1/20 0.56
KDR P35968 1/20 0.56
FLT3 P36888 1/20 0.56
MYLK Q15746 1/20 0.56
MAP4K5 Q9Y4K4 1/20 0.56
NPC1 O15118 3/20 0.54
RAB9A P51151 3/20 0.54
SMN1; SMN2 Q16637 3/20 0.54
LMNA P02545 2/20 0.54

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
SCHEMBL132474 0.89 P2RX1 (1.00) P2RX1TMPRSS4P2RX4P2RX7MEN1
SCHEMBL25348875 0.89 P2RX1 (0.63) P2RX1TMPRSS4P2RX4P2RX7PLAU
SCHEMBL21021862 0.86 PLAU (0.73) P2RX1TMPRSS4PLAUF2F10
SCHEMBL14394718 0.85 P2RX1 (0.78) P2RX1TMPRSS4P2RX4P2RX7MEN1
SCHEMBL14363393 0.85 P2RX1 (0.87) P2RX1TMPRSS4P2RX4P2RX7PLAU
SCHEMBL18160280 0.84 JAK2 (0.67) P2RX1TMPRSS4P2RX4P2RX7MEN1
SCHEMBL24824532 0.84 P2RX1 (0.79) P2RX1TMPRSS4P2RX4P2RX7MEN1
SCHEMBL23675372 0.84 P2RX1 (0.85) P2RX1TMPRSS4P2RX4P2RX7MEN1
SCHEMBL14363184 0.83 PLAU (0.69) P2RX1TMPRSS4PLAUF2F10
SCHEMBL17779272 0.83 P2RX1 (0.71) P2RX1TMPRSS4P2RX4P2RX7MEN1

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