SCHEMBL9846244

SCHEMBL9846244

CCc1cc(CCc2nc3c(Cl)ccc(Cl)c3o2)c(OC)nc1C

nearest known ligand 0.30

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
APOBEC3A P31941 1/20 0.30
APOBEC3G Q9HC16 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
SCHEMBL9846220 0.92 ALOX5 (0.32)
SCHEMBL9432051 0.84 APOBEC3A (0.33) APOBEC3AAPOBEC3G
SCHEMBL9846391 0.82 MAPT (0.34)
SCHEMBL9846120 0.81 PPARD (0.33) APOBEC3AAPOBEC3G
SCHEMBL9846106 0.81 PDE4A (0.34)
SCHEMBL9280809 0.76 ALDH1A1 (0.38)
SCHEMBL9846323 0.76
SCHEMBL9846324 0.76
SCHEMBL9284917 0.75 ALDH1A1 (0.35)
SCHEMBL9283236 0.74 ALDH1A1 (0.41) APOBEC3AAPOBEC3G

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
EP-0462800-A2 Inhibitors of HIV reverse transcriptase MERCK & CO. INC. (US) 1991-12-27 EP disclosed