SCHEMBL24328815

SCHEMBL24328815

O=c1[nH]n(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c(=O)n1Cc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RGS4 P49798 3/20 0.50
RGS8 P57771 3/20 0.50
CTSK P43235 1/20 0.44
TLR7 Q9NYK1 1/20 0.44
TSHR P16473 2/20 0.42
HPGD P15428 2/20 0.42
HSD17B10 Q99714 1/20 0.42
ALDH1A1 P00352 2/20 0.40
CYP3A4 P08684 1/20 0.40
CFTR P13569 1/20 0.39
AR P10275 1/20 0.38
LMNA P02545 1/20 0.38
TP53 P04637 1/20 0.38
MAPT P10636 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
PDE4A P27815 1/20 0.38
PDE4B Q07343 1/20 0.38
PDE4C Q08493 1/20 0.38
PDE4D Q08499 1/20 0.38
MEN1 O00255 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
SCHEMBL24328735 0.91 P2RX3 (0.44) RGS4RGS8TLR7ALDH1A1MAPT
SCHEMBL24327923 0.90 RGS4 (0.60) RGS4RGS8CTSKTLR7TSHR
SCHEMBL24327921 0.88 TRPV1 (0.48) RGS4RGS8CTSKTLR7TSHR
SCHEMBL24327423 0.85 RGS4 (0.45) RGS4RGS8CTSKTLR7CYP3A4
SCHEMBL24327916 0.82 RGS4 (0.44) RGS4RGS8HPGDALDH1A1CYP3A4
SCHEMBL24327510 0.82 RGS4 (0.52) RGS4RGS8CTSKTSHRALDH1A1
SCHEMBL24327924 0.81 PGR (0.49) RGS4RGS8HPGDALDH1A1CYP3A4
SCHEMBL24327425 0.81 P2RX3 (0.47) RGS4RGS8TLR7ALDH1A1
SCHEMBL24327520 0.80 C5AR1 (0.48) RGS4RGS8TLR7TSHRHPGD
SCHEMBL24327915 0.78 NOX4 (0.53) RGS4RGS8ALDH1A1TP53MAPT

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