SCHEMBL23905782

SCHEMBL23905782

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

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.32
KMT2A Q03164 1/20 0.32
MAPT P10636 1/20 0.30
ALDH1A1 P00352 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL23905608 0.92 POLB (0.31) POLBKMT2AMAPT
SCHEMBL23905797 0.85 PTGFR (0.32) POLBKMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL23905949 0.85 PTGFR (0.31) POLBKMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL23905642 0.85 POLB (0.30) POLBKMT2AMAPT
SCHEMBL23905254 0.82 POLB (0.32) POLBKMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL23905804 0.81 ADRA1D (0.32)
SCHEMBL23905641 0.81 LMNA (0.33) POLBKMT2AALDH1A1SMN1; SMN2
SCHEMBL23904706 0.81
SCHEMBL23905947 0.80
SCHEMBL23904891 0.78 PTGS1 (0.33) POLBKMT2AMAPTALDH1A1SMN1; 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