SCHEMBL23904693

SCHEMBL23904693

COc1cnc2c(OC)cc(C(=O)NCC(O)(c3cc4c(c(-c5ccc(F)cc5)n3)OCC4(CF)CF)C(F)(F)F)cc2c1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GABRA5 P31644 6/20 0.34
MAPT P10636 2/20 0.32
CFTR P13569 3/20 0.32
ABCB1 P08183 1/20 0.31
ABCC1 P33527 1/20 0.31
ADCY8 P40145 1/20 0.30
ADCY1 Q08828 1/20 0.30
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
HPGD P15428 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
RXFP1 Q9HBX9 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
SCHEMBL23905865 0.93 GABRA5 (0.34) GABRA5CFTRABCB1ABCC1
SCHEMBL23905315 0.93 GABRA5 (0.34) GABRA5CFTRABCB1ABCC1
SCHEMBL23905286 0.93 GABRA5 (0.33) GABRA5MAPTCFTRABCB1ABCC1
SCHEMBL23905269 0.93 CFTR (0.34) GABRA5CFTRABCB1ABCC1
SCHEMBL23905318 0.92 GABRA5 (0.32) GABRA5CFTR
SCHEMBL23904795 0.92 GABRA5 (0.32) GABRA5CFTR
SCHEMBL23905687 0.91 CFTR (0.33) GABRA5MAPTCFTR
SCHEMBL23905818 0.90 GABRA5 (0.34) GABRA5MAPTCFTRABCB1ABCC1
SCHEMBL23905668 0.89 CFTR (0.34) GABRA5CFTRADCY8ADCY1
SCHEMBL23905673 0.89 CFTR (0.32) GABRA5CFTR

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