SCHEMBL24460146

SCHEMBL24460146

O=Cc1cccc(NC(=O)c2cc(Cl)ccc2O)c1

nearest known ligand 0.74

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ P2RX1 P51575 13/20 0.74
▸ P2RX4 Q99571 4/20 0.74
▸ P2RX7 Q99572 4/20 0.74
▸ TMPRSS4 Q9NRS4 5/20 0.68
▸ SLC2A1 P11166 1/20 0.63
▸ KCNMA1 Q12791 3/20 0.59
▸ FADS1 O60427 2/20 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
SCHEMBL4264405 0.88 P2RX1 (0.72) P2RX1P2RX4P2RX7TMPRSS4SLC2A1
SCHEMBL11932152 0.86 P2RX1 (1.00) P2RX1P2RX4P2RX7TMPRSS4SLC2A1
SCHEMBL29951220 0.85 KMT2A (0.62) P2RX1P2RX4P2RX7
SCHEMBL24438622 0.85 P2RX1 (0.77) P2RX1P2RX4P2RX7TMPRSS4KCNMA1
SCHEMBL538439 0.81 TMPRSS4 (1.00) P2RX1P2RX4P2RX7TMPRSS4SLC2A1
SCHEMBL11932156 0.81 P2RX1 (0.78) P2RX1P2RX4P2RX7TMPRSS4SLC2A1
SCHEMBL3860231 0.81 P2RX1 (0.78) P2RX1P2RX4P2RX7TMPRSS4SLC2A1
SCHEMBL11932151 0.81 P2RX1 (0.78) P2RX1P2RX4P2RX7TMPRSS4SLC2A1
SCHEMBL13812565 0.81 P2RX1 (0.78) P2RX1P2RX4P2RX7TMPRSS4SLC2A1
SCHEMBL2106756 0.80 L3MBTL1 (0.71) —

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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