SCHEMBL23905481

SCHEMBL23905481

C[C@@]1(CF)COc2c1cc(C(O)(CNC(=O)c1cc(OC3CC3)c3ncccc3c1)C(F)(F)F)nc2-c1ccc(F)cc1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.34
POLB P06746 1/20 0.31
CFTR P13569 2/20 0.31
HRH1 P35367 1/20 0.31
KCNH2 Q12809 1/20 0.31
MAPK13 O15264 1/20 0.30
MAPK12 P53778 1/20 0.30
MAPK11 Q15759 1/20 0.30
MAPK14 Q16539 1/20 0.30
GABRA5 P31644 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
SCHEMBL23905243 1.00 AR (0.34) ARPOLBCFTRHRH1KCNH2
SCHEMBL23905482 1.00 AR (0.34) ARPOLBCFTRHRH1KCNH2
SCHEMBL23905709 0.94 SMN1; SMN2 (0.30) HRH1KCNH2
SCHEMBL23905268 0.92 AR (0.34) ARPOLBGABRA5
SCHEMBL24985121 0.91 AR (0.34) ARPOLBMAPK13MAPK12MAPK11
SCHEMBL24985122 0.91 AR (0.34) ARPOLBMAPK13MAPK12MAPK11
SCHEMBL24984629 0.91 AR (0.33) ARPOLBCFTRMAPK13MAPK12
SCHEMBL25114355 0.91 AR (0.33) AR
SCHEMBL23905260 0.91 AR (0.33) ARPOLBCFTRMAPK13MAPK12
SCHEMBL24984625 0.91 AR (0.33) ARPOLBCFTRMAPK13MAPK12

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