SCHEMBL11790960

SCHEMBL11790960

O=C(O)CNc1cc(Cl)nc(-c2ccccc2)n1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 4/20 0.52
▸ LMNA P02545 1/20 0.47
▸ MAPT P10636 4/20 0.47
▸ ADORA1 P30542 6/20 0.45
▸ ADORA3 P0DMS8 5/20 0.45
▸ ADORA2A P29274 5/20 0.45
▸ MEN1 O00255 3/20 0.45
▸ KMT2A Q03164 3/20 0.45
▸ ADORA2B P29275 1/20 0.45
▸ MCOLN3 Q8TDD5 1/20 0.45
▸ ATP4A P20648 1/20 0.44
▸ ATP4B P51164 1/20 0.44
▸ HRH4 Q9H3N8 1/20 0.44
▸ ALDH1A1 P00352 2/20 0.44
▸ CYP1A2 P05177 2/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ POLB P06746 1/20 0.43
▸ CTDSP1 Q9GZU7 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ SIRT5 Q9NXA8 1/20 0.43

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
SCHEMBL11264636 0.81 CYP2D6 (0.56) PTGS2LMNAMAPTADORA1MEN1
SCHEMBL10395225 0.80 LMNA (0.56) PTGS2LMNAMAPTADORA1ADORA3
SCHEMBL6176547 0.80 PTGS2 (0.52) PTGS2LMNAMAPTMEN1KMT2A
SCHEMBL3162625 0.80 ADORA2A (0.51) PTGS2LMNAMAPTADORA1ADORA3
SCHEMBL27615750 0.80 HRH4 (0.48) PTGS2LMNAMAPTADORA1ADORA3
SCHEMBL12886474 0.79 ADORA1 (0.45) ADORA1ADORA3ADORA2AADORA2BCYP1A2
SCHEMBL11789945 0.78 MAPT (0.50) PTGS2LMNAMAPTADORA1ADORA3
SCHEMBL13920230 0.77 ADORA3 (0.75) MAPTADORA1ADORA3ADORA2AMEN1
SCHEMBL3163367 0.77 ADORA1 (0.56) PTGS2LMNAMAPTADORA1ADORA3
SCHEMBL11798033 0.77 LMNA (0.47) PTGS2LMNAMAPTADORA1ADORA3

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
US-3940395-A CNS DEPRESSANT AMERICAN HOME PRODUCTS CORPORATION (US) 1976-02-24 — — US disclosed
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