SCHEMBL23905515

SCHEMBL23905515

COc1cc(C(=O)NCC(c2cc3c(c(-c4ccc(F)cc4)n2)OC[C@]3(C)C(N)=O)C(F)(F)F)cc2cccnc12

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.37
LMNA P02545 3/20 0.34
TP53 P04637 2/20 0.34
ALDH1A1 P00352 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
KMT2A Q03164 4/20 0.33
MEN1 O00255 3/20 0.33
HPGD P15428 2/20 0.33
MAPT P10636 2/20 0.33
DYRK1A Q13627 1/20 0.32
ADORA2A P29274 2/20 0.31
BACE1 P56817 1/20 0.31
BACE2 Q9Y5Z0 1/20 0.31
PTGFR P43088 3/20 0.30
GABRA5 P31644 1/20 0.30
ADORA2B P29275 1/20 0.30
ADORA1 P30542 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL24345317 0.92 POLB (0.34) POLBLMNATP53ALDH1A1SMN1; SMN2
SCHEMBL23195916 0.91 POLB (0.38) POLBLMNATP53ALDH1A1SMN1; SMN2
SCHEMBL23196057 0.89 POLB (0.30) POLBLMNATP53ALDH1A1SMN1; SMN2
SCHEMBL24345844 0.89 POLB (0.36) POLBLMNATP53ALDH1A1SMN1; SMN2
SCHEMBL24345474 0.88 POLB (0.35) POLBLMNATP53ALDH1A1SMN1; SMN2
SCHEMBL23195679 0.88 MAPK13 (0.32)
SCHEMBL23195701 0.86 BTK (0.31) POLBLMNATP53ALDH1A1SMN1; SMN2
SCHEMBL24987082 0.85 ALDH1A1 (0.36) POLBALDH1A1SMN1; SMN2KMT2AHPGD
SCHEMBL24984617 0.85 ALDH1A1 (0.36) POLBALDH1A1SMN1; SMN2KMT2AHPGD
SCHEMBL23195908 0.85 MAPK14 (0.36) LMNAALDH1A1KMT2AMEN1MAPT

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