SCHEMBL23905949

SCHEMBL23905949

COc1cc(C(=O)NCC(c2cc3c(c(-c4ccc(F)cc4)n2)OCC3(CF)CF)C(F)(F)F)cc(/C=C(\N)C(O)(O)O)c1N

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGFR P43088 3/20 0.31
BTK Q06187 1/20 0.31
CFTR P13569 1/20 0.30
POLB P06746 1/20 0.30
KMT2A Q03164 1/20 0.30
MAPT P10636 1/20 0.30
LMNA P02545 1/20 0.30
TP53 P04637 1/20 0.30
ALDH1A1 P00352 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL23905797 0.94 PTGFR (0.32) PTGFRBTKPOLBKMT2AMAPT
SCHEMBL23905809 0.92
SCHEMBL23904891 0.87 PTGS1 (0.33) PTGFRBTKCFTRPOLBKMT2A
SCHEMBL23905782 0.85 POLB (0.32) POLBKMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL23905642 0.85 POLB (0.30) POLBKMT2AMAPT
SCHEMBL23905608 0.83 POLB (0.31) POLBKMT2AMAPT
SCHEMBL23905675 0.82 PTGFR (0.32) PTGFRPOLBKMT2ALMNATP53
SCHEMBL23904880 0.82 PTGFR (0.33) PTGFRPOLBMAPTLMNATP53
SCHEMBL23905889 0.82 PTGFR (0.33) PTGFRLMNATP53
SCHEMBL23905869 0.82 GABRA5 (0.32) PTGFRLMNATP53ALDH1A1SMN1; SMN2

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