SCHEMBL23905593

SCHEMBL23905593

COc1cc(C(=O)NCC(O)(CF)c2cc3c(c(-c4ccc(F)cc4)n2)OCC3(CF)CF)cc2cc(C)nnc12

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CFTR P13569 3/20 0.31
GABRA5 P31644 1/20 0.31
POLB P06746 1/20 0.30
KMT2A Q03164 1/20 0.30
ABCB1 P08183 1/20 0.30
ABCC1 P33527 1/20 0.30
MAPT P10636 1/20 0.30
ADORA2A P29274 1/20 0.30
ADORA2B P29275 1/20 0.30
ADORA1 P30542 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
SCHEMBL23905687 0.92 CFTR (0.33) CFTRGABRA5POLBKMT2AMAPT
SCHEMBL23905620 0.89
SCHEMBL23905279 0.89
SCHEMBL23905684 0.86 THRB (0.34) GABRA5MAPT
SCHEMBL23905664 0.86 MAPT (0.33) POLBMAPT
SCHEMBL23905668 0.86 CFTR (0.34) CFTRGABRA5POLBKMT2A
SCHEMBL23905347 0.85 CFTR (0.32) CFTRGABRA5
SCHEMBL23905674 0.85 CFTR (0.34) CFTRGABRA5POLBKMT2AMAPT
SCHEMBL23905256 0.85 CFTR (0.34) CFTRGABRA5POLBKMT2AADORA2A
SCHEMBL23905595 0.85 CFTR (0.34) CFTRGABRA5POLBKMT2AADORA2A

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