SCHEMBL22820237

SCHEMBL22820237

Cc1cc(F)cc(-c2cc(F)ccc2C)c1

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 10/20 0.43
▸ NISCH Q9Y2I1 1/20 0.41
▸ ACHE P22303 2/20 0.40
▸ BACE1 P56817 1/20 0.36
▸ GRM5 P41594 1/20 0.35
▸ PDE2A O00408 1/20 0.35
▸ PDE10A Q9Y233 1/20 0.35

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
SCHEMBL20320028 0.83 GAA (0.44) ABL1NISCHGRM5
SCHEMBL23992671 0.83 MAP4K4 (0.39) ABL1PDE2APDE10A
SCHEMBL22232224 0.81 ABL1 (0.43) ABL1NISCHPDE2APDE10A
SCHEMBL26464920 0.80 CYP11B1 (0.38) ABL1ACHEPDE2APDE10A
SCHEMBL10094630 0.79 ACHE (0.50) ABL1NISCHACHE
SCHEMBL3750244 0.79 ABL1 (0.51) ABL1NISCHACHEGRM5
SCHEMBL10094674 0.78 ACHE (0.54) ABL1NISCHACHEBACE1
SCHEMBL26382494 0.78 RPS6KA3 (0.36) ACHE
SCHEMBL30377758 0.78 NISCH (0.52) ABL1NISCHACHEPDE2APDE10A
SCHEMBL9139591 0.78 NISCH (0.52) ABL1NISCHACHEPDE2APDE10A

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-2020255425-A1 ANTI-HBV AGENT 国立研究開発法人理化学研究所 2020-12-24 — — WO disclosed
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