SCHEMBL24327423

SCHEMBL24327423

O=c1[nH]n(-c2ccccc2)c(=O)n1Cc1ccc(C(F)(F)F)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RGS4 P49798 3/20 0.45
RGS8 P57771 3/20 0.45
TRPV1 Q8NER1 1/20 0.45
P2RX3 P56373 1/20 0.44
CHRM5 P08912 1/20 0.42
CFTR P13569 1/20 0.42
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA9 Q16790 1/20 0.40
MEN1 O00255 1/20 0.40
POLB P06746 1/20 0.40
KMT2A Q03164 1/20 0.40
CTSK P43235 1/20 0.40
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
GAA P10253 1/20 0.39
CYP2C19 P33261 1/20 0.39
TLR7 Q9NYK1 1/20 0.39
CES2 O00748 1/20 0.39
HSP90B1 P14625 1/20 0.39

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
SCHEMBL24327921 0.95 TRPV1 (0.48) RGS4RGS8TRPV1P2RX3CHRM5
SCHEMBL24327425 0.93 P2RX3 (0.47) RGS4RGS8TRPV1P2RX3CHRM5
SCHEMBL24327510 0.88 RGS4 (0.52) RGS4RGS8P2RX3CHRM5MEN1
SCHEMBL24328735 0.86 P2RX3 (0.44) RGS4RGS8TRPV1P2RX3CHRM5
SCHEMBL24327923 0.86 RGS4 (0.60) RGS4RGS8MEN1KMT2ACTSK
SCHEMBL24327924 0.85 PGR (0.49) RGS4RGS8KMT2ACYP3A4DAO
SCHEMBL24328815 0.85 RGS4 (0.50) RGS4RGS8CFTRMEN1POLB
SCHEMBL24327511 0.85 RGS4 (0.46) RGS4RGS8P2RX3CYP1A2CYP3A4
SCHEMBL24327426 0.83 P2RX3 (0.44) RGS4RGS8P2RX3CYP2C19TLR7
SCHEMBL24327506 0.83 CHRM5 (0.53) RGS4RGS8P2RX3CHRM5CFTR

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