SCHEMBL23905254

SCHEMBL23905254

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

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.32
KMT2A Q03164 1/20 0.32
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

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
SCHEMBL23905959 0.93 MAPT (0.34) POLBMAPTTP53
SCHEMBL23905637 0.90 P2RX7 (0.31) POLBKMT2A
SCHEMBL23905641 0.89 LMNA (0.33) POLBKMT2ALMNATP53ALDH1A1
SCHEMBL23904705 0.84
SCHEMBL23905665 0.84 MAPT (0.33) POLBMAPTTP53
SCHEMBL23905547 0.84 LMNA (0.32) LMNATP53ALDH1A1SMN1; SMN2
SCHEMBL23905281 0.84
SCHEMBL23905636 0.84 POLB (0.33) POLBKMT2AMAPTLMNATP53
SCHEMBL23905985 0.83 PTGFR (0.31) LMNATP53
SCHEMBL23905593 0.82 CFTR (0.31) POLBKMT2AMAPT

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