SCHEMBL24328735

SCHEMBL24328735

O=c1[nH]n(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c(=O)n1Cc1ccc(C(F)(F)F)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 1/20 0.44
RGS4 P49798 2/20 0.41
RGS8 P57771 2/20 0.41
HSP90B1 P14625 1/20 0.39
TRAP1 Q12931 1/20 0.39
DAO P14920 1/20 0.39
HDAC1 Q13547 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
CHRM5 P08912 4/20 0.37
CHRM3 P20309 1/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
TLR7 Q9NYK1 1/20 0.37
THRB P10828 1/20 0.37
HTR2C P28335 1/20 0.37
HTR2B P41595 1/20 0.37
HSP90AA1 P07900 1/20 0.36
MAPT P10636 1/20 0.36
TRPV1 Q8NER1 1/20 0.36

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
SCHEMBL24328815 0.91 RGS4 (0.50) RGS4RGS8ALDH1A1TLR7MAPT
SCHEMBL24327425 0.90 P2RX3 (0.47) P2RX3RGS4RGS8HSP90B1TRAP1
SCHEMBL24327426 0.88 P2RX3 (0.44) P2RX3RGS4RGS8HSP90B1TRAP1
SCHEMBL24327510 0.88 RGS4 (0.52) P2RX3RGS4RGS8DAOCHRM5
SCHEMBL24327423 0.86 RGS4 (0.45) P2RX3RGS4RGS8HSP90B1TRAP1
SCHEMBL24327921 0.84 TRPV1 (0.48) P2RX3RGS4RGS8CHRM5TLR7
SCHEMBL24327511 0.83 RGS4 (0.46) P2RX3RGS4RGS8THRBHSP90AA1
SCHEMBL24327512 0.81 KIF11 (0.42) P2RX3HSP90B1TRAP1DAOKDM4E
SCHEMBL24327923 0.81 RGS4 (0.60) RGS4RGS8DAOALDH1A1TLR7
SCHEMBL24327506 0.80 CHRM5 (0.53) P2RX3RGS4RGS8HSP90B1TRAP1

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