SCHEMBL24327528

SCHEMBL24327528

O=C1C(Cl)=C(Nc2ccc(C(F)(F)F)cc2)C(=O)c2c(O)ccc(O)c21

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AKT1 P31749 1/20 0.52
▸ MAPT P10636 6/20 0.44
▸ TP53 P04637 1/20 0.44
▸ P2RX1 P51575 2/20 0.44
▸ P2RX4 Q99571 1/20 0.44
▸ P2RX7 Q99572 1/20 0.44
▸ TMPRSS4 Q9NRS4 1/20 0.44
▸ NPC1 O15118 4/20 0.43
▸ HTT P42858 4/20 0.43
▸ RAB9A P51151 4/20 0.43
▸ MAPK1 P28482 3/20 0.43
▸ NPSR1 Q6W5P4 3/20 0.43
▸ GAA P10253 2/20 0.43
▸ CA1 P00915 2/20 0.41
▸ CA2 P00918 2/20 0.41
▸ EPHX2 P34913 1/20 0.40
▸ PTPN6 P29350 1/20 0.40
▸ KIF11 P52732 1/20 0.39
▸ CA12 O43570 1/20 0.38
▸ CA9 Q16790 1/20 0.38

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
SCHEMBL24327526 0.83 DHODH (0.54) MAPTP2RX1P2RX4P2RX7TMPRSS4
SCHEMBL12283415 0.83 MAPT (0.61) MAPTNPC1HTTRAB9AMAPK1
SCHEMBL24327534 0.81 FFAR1 (0.41) AKT1P2RX1CA1CA2EPHX2
SCHEMBL15906860 0.80 MAPT (0.58) MAPTNPC1HTTRAB9AMAPK1
SCHEMBL24328015 0.80 TOP2A (0.48) MAPTNPC1HTTRAB9AMAPK1
SCHEMBL11220891 0.80 MAPT (0.59) MAPTNPC1HTTRAB9AMAPK1
SCHEMBL24327929 0.78 MAPT (0.51) MAPTNPC1HTTRAB9AMAPK1
SCHEMBL24327488 0.72 DHODH (0.54) MAPTP2RX1P2RX4P2RX7NPC1
SCHEMBL24327533 0.70 MAPT (0.44) AKT1MAPTNPC1HTTRAB9A
SCHEMBL197302 0.69 GPR55 (0.55) MAPTTP53NPC1HTTRAB9A

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-2022081984-A1 METHODS AND COMPOUNDS TO TREAT SARS INFECTIONS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2022-04-21 — — WO disclosed
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