SCHEMBL23905426

SCHEMBL23905426

CC1COc2c1cc(C(CNC(=O)c1cc(OC3CC3)c3ncccc3c1)C(F)(F)F)nc2-c1ccc(F)c(F)c1

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
AR P10275 7/20 0.34
HRH1 P35367 10/20 0.32
KCNH2 Q12809 10/20 0.32
SLC5A7 Q9GZV3 1/20 0.31
P2RX7 Q99572 1/20 0.31
POLB P06746 1/20 0.30

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
SCHEMBL23905701 0.94 AR (0.35) ARHRH1KCNH2POLB
SCHEMBL24345454 0.86 POLB (0.38) P2RX7POLB
SCHEMBL24363611 0.86 POLB (0.38) P2RX7POLB
SCHEMBL23905459 0.84 POLB (0.36) P2RX7POLB
SCHEMBL23905558 0.83 GABRA5 (0.31) AR
SCHEMBL23905663 0.83 SLC5A7 (0.30) SLC5A7
SCHEMBL23905982 0.83 EPHX2 (0.33) HRH1KCNH2SLC5A7
SCHEMBL23905660 0.82 SLC5A7 (0.31) SLC5A7
SCHEMBL23685205 0.81 AR (0.34) ARHRH1KCNH2SLC5A7P2RX7
SCHEMBL23685129 0.81 AR (0.34) ARHRH1KCNH2SLC5A7P2RX7

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-2021198981-A1 ANTIVIRAL COMPOUNDS AND USES THEREOF Janssen Biopharma, Inc. (US) 2021-10-07 WO disclosed