SCHEMBL23905571

SCHEMBL23905571

COc1cc(C(=O)NC[C@](O)(c2cc3c(c(-c4ccc(F)cc4)n2)OCC3(C)C)C(F)F)cc2cc(C(F)F)nnc12

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 4/20 0.33
PTGS2 P35354 4/20 0.33
ALOX5 P09917 1/20 0.33
CFTR P13569 1/20 0.30
POLB P06746 1/20 0.30
KMT2A Q03164 1/20 0.30
MAPT P10636 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
SCHEMBL23905690 1.00 PTGS1 (0.33) PTGS1PTGS2ALOX5CFTRPOLB
SCHEMBL23905779 0.93
SCHEMBL23905827 0.87 PTGS1 (0.33) PTGS1PTGS2ALOX5CFTRPOLB
SCHEMBL23905344 0.85 PTGS1 (0.31) PTGS1PTGS2ALOX5
SCHEMBL23905828 0.84 CFTR (0.31) CFTR
SCHEMBL25115672 0.84 CFTR (0.32) CFTR
SCHEMBL23905659 0.84 CFTR (0.31) CFTR
SCHEMBL25115669 0.84 CFTR (0.32) CFTR
SCHEMBL25283040 0.84 CFTR (0.36) CFTRPOLBKMT2AMAPT
SCHEMBL25687438 0.84 CFTR (0.36) CFTRPOLBKMT2AMAPT

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