SCHEMBL23905661

SCHEMBL23905661

COc1cc(C(=O)NCC(c2cc3c(c(-c4ccc(F)cc4)n2)OCC3C)C(F)(F)F)cc2cc(C(F)F)nnc12

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.33
ALDH1A1 P00352 2/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
POLB P06746 1/20 0.30
KMT2A Q03164 1/20 0.30
PTGFR P43088 3/20 0.30
MAPT P10636 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
GABRA5 P31644 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
SCHEMBL24345454 0.87 POLB (0.38) LMNATP53ALDH1A1SMN1; SMN2POLB
SCHEMBL24363611 0.87 POLB (0.38) LMNATP53ALDH1A1SMN1; SMN2POLB
SCHEMBL23904817 0.86 LRRK2 (0.34) LMNATP53GABRA5
SCHEMBL23905469 0.85 CXCR6 (0.32) LMNATP53POLBKMT2A
SCHEMBL24363581 0.84 SLC5A7 (0.38) ALDH1A1SMN1; SMN2KMT2A
SCHEMBL23905547 0.84 LMNA (0.32) LMNATP53ALDH1A1SMN1; SMN2PTGFR
SCHEMBL23905636 0.84 POLB (0.33) LMNATP53ALDH1A1SMN1; SMN2POLB
SCHEMBL23905464 0.83 ROCK2 (0.33) MAPT
SCHEMBL23905558 0.83 GABRA5 (0.31) LMNATP53GABRA5
SCHEMBL23905945 0.82 PTGFR (0.32) LMNATP53POLBKMT2APTGFR

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