SCHEMBL23905244

SCHEMBL23905244

COc1cc(C(=O)NCC(O)(c2cc3c(c(-c4ccc(F)cc4)n2)OCC3(C)C(N)=O)C(F)(F)F)cc2cc(Cl)cnc12

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CFTR P13569 3/20 0.32
GABRA5 P31644 5/20 0.32
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HTT P42858 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31
POLB P06746 1/20 0.30
KMT2A Q03164 1/20 0.30
MAPK1 P28482 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
SCHEMBL24988130 1.00 CFTR (0.32) CFTRGABRA5KDM4EALDH1A1HTT
SCHEMBL24987619 1.00 CFTR (0.32) CFTRGABRA5KDM4EALDH1A1HTT
SCHEMBL24985910 0.94 CFTR (0.33) CFTRGABRA5POLBKMT2A
SCHEMBL24985908 0.94 CFTR (0.33) CFTRGABRA5POLBKMT2A
SCHEMBL24984882 0.93 PIK3CA (0.32) CFTRGABRA5
SCHEMBL24984881 0.93 PIK3CA (0.32) CFTRGABRA5
SCHEMBL23905261 0.93 PIK3CA (0.32) CFTRGABRA5
SCHEMBL24986121 0.93 GABRA5 (0.34) CFTRGABRA5POLBKMT2A
SCHEMBL24986117 0.93 GABRA5 (0.34) CFTRGABRA5POLBKMT2A
SCHEMBL23905737 0.92 CFTR (0.32) CFTRGABRA5POLBKMT2A

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