SCHEMBL23905260

SCHEMBL23905260

CC1(C(N)=O)COc2c1cc(C(O)(CNC(=O)c1cc(OC3CC3)c3ncccc3c1)C(F)(F)F)nc2-c1ccc(F)cc1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.33
POLB P06746 1/20 0.31
SCD O00767 1/20 0.30
CFTR P13569 2/20 0.30
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
SCHEMBL24984625 1.00 AR (0.33) ARPOLBSCDCFTRMAPK13
SCHEMBL24984629 1.00 AR (0.33) ARPOLBSCDCFTRMAPK13
SCHEMBL24986295 0.95 TMEM97 (0.31)
SCHEMBL24986296 0.95 TMEM97 (0.31)
SCHEMBL24986142 0.95 GABRA5 (0.32) POLBSCDGABRA5
SCHEMBL24986144 0.95 GABRA5 (0.32) POLBSCDGABRA5
SCHEMBL24984624 0.94 SMN1; SMN2 (0.30) SCD
SCHEMBL24984626 0.94 SMN1; SMN2 (0.30) SCD
SCHEMBL24985122 0.94 AR (0.34) ARPOLBMAPK13MAPK12MAPK11
SCHEMBL24985121 0.94 AR (0.34) ARPOLBMAPK13MAPK12MAPK11

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