SCHEMBL23905736

SCHEMBL23905736

CC1COc2c1cc(C(CNC(=O)c1cc(OC3CC3)c3ncc(Cl)cc3c1)C(F)F)nc2-c1ccc(F)cc1

nearest known ligand 0.32

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC5A7 Q9GZV3 2/20 0.32
UGCG Q16739 1/20 0.32
P2RX7 Q99572 1/20 0.32
IRAK4 Q9NWZ3 4/20 0.31
AR P10275 1/20 0.31
PIK3CA P42336 1/20 0.31
GPR6 P46095 2/20 0.30
GABRA5 P31644 2/20 0.30
HRH1 P35367 1/20 0.30
CCR3 P51677 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
SCHEMBL23905650 0.87 ADRA1D (0.33) P2RX7
SCHEMBL23195972 0.85 TP53 (0.32) P2RX7GABRA5
SCHEMBL23905558 0.84 GABRA5 (0.31) ARGABRA5
SCHEMBL23905636 0.83 POLB (0.33)
SCHEMBL23905701 0.81 AR (0.35) ARHRH1
SCHEMBL23905651 0.78 ROCK2 (0.33) P2RX7PIK3CA
SCHEMBL23905415 0.77 GABRA5 (0.32) ARPIK3CAGABRA5
SCHEMBL24363595 0.77 SLC5A7 (0.38) SLC5A7
SCHEMBL24346378 0.77 SLC5A7 (0.38) SLC5A7
SCHEMBL24363581 0.77 SLC5A7 (0.38) SLC5A7

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