SCHEMBL30006910

SCHEMBL30006910

COc1cc(C(=O)NCC(O)(c2cc(C(C)(C)O)cc(-c3ccc(F)cc3)n2)C(C)(C)F)cc2cc(C)nnc12

nearest known ligand 0.70

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 6/20 0.38
CFTR P13569 3/20 0.34
ADCY8 P40145 1/20 0.34
ADCY1 Q08828 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.33
TP53 P04637 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
TSHR P16473 1/20 0.33
CASP1 P29466 1/20 0.33
HSD17B10 Q99714 1/20 0.33
MAPT P10636 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
POLB P06746 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL25687470 1.00 SCN9A (0.38) SCN9ACFTRADCY8ADCY1L3MBTL1
SCHEMBL25687469 1.00 SCN9A (0.38) SCN9ACFTRADCY8ADCY1L3MBTL1
SCHEMBL28909124 1.00 SCN9A (0.38) SCN9ACFTRADCY8ADCY1L3MBTL1
SCHEMBL30007116 0.96 SCN9A (0.38) SCN9ACFTRADCY8ADCY1L3MBTL1
SCHEMBL25687474 0.96 SCN9A (0.38) SCN9ACFTRADCY8ADCY1L3MBTL1
SCHEMBL23958713 0.96 SCN9A (0.38) SCN9ACFTRADCY8ADCY1L3MBTL1
SCHEMBL25687476 0.96 SCN9A (0.38) SCN9ACFTRADCY8ADCY1L3MBTL1
SCHEMBL25687377 0.96 SCN9A (0.38) SCN9ACFTRADCY8ADCY1L3MBTL1
SCHEMBL30007220 0.87 SCN9A (0.36) SCN9ACFTRADCY8ADCY1
SCHEMBL28909130 0.87 SCN9A (0.36) SCN9ACFTRADCY8ADCY1

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
CN-115461336-A RSV inhibiting 3-substituted quinoline and cinnoline derivatives 爱尔兰詹森科学公司 2022-12-09 CN disclosed