SCHEMBL7253221

SCHEMBL7253221

CSc1nc(Cl)c2c(CCOC(C)=O)c[nH]c2n1

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.34
▸ TP53 P04637 1/20 0.33
▸ THRB P10828 1/20 0.33
▸ SIRT2 Q8IXJ6 1/20 0.32
▸ HSP90AB1 P08238 3/20 0.32
▸ KCNH2 Q12809 2/20 0.32
▸ ADORA3 P0DMS8 1/20 0.32
▸ ADORA2A P29274 1/20 0.32
▸ PPARG P37231 1/20 0.31
▸ TLR8 Q9NR97 1/20 0.31
▸ L3MBTL1 Q9Y468 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
SCHEMBL7244574 0.81 POLB (0.35) THRBHSP90AB1KCNH2PPARG
SCHEMBL7249503 0.78 HSP90AB1 (0.32) HSP90AB1KCNH2
SCHEMBL1900144 0.70 HSP90AB1 (0.42) HSP90AB1KCNH2PPARG
SCHEMBL14421840 0.68 HSP90AB1 (0.38) HSP90AB1KCNH2
SCHEMBL20067795 0.63 HSP90AB1 (0.33) HSP90AB1
SCHEMBL27096442 0.63 LMNA (0.34) ALDH1A1TP53ADORA3ADORA2APPARG
SCHEMBL28191390 0.63 MTNR1A (0.52) ALDH1A1
SCHEMBL28805816 0.61 HTR2A (0.58) ALDH1A1THRBADORA2AL3MBTL1
SCHEMBL16765811 0.59 CHEK1 (0.49) —
SCHEMBL29782982 0.59 LMNA (0.64) ALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6600028-B1 Tricyclic compound for use as viricide AMERSHAM PHARMACIA BIOTECH UK LIMITED (GB) 2003-07-29 — — US disclosed
EP-0973788-A1 TRICYCLIC BASE ANALOGUES Amersham Pharmacia Biotech UK Limited (GB) 2000-01-26 — — EP disclosed
WO-1998043991-A1 TRICYCLIC BASE ANALOGUES AMERSHAM PHARMACIA BIOTECH UK LIMITED (GB) 1998-10-08 — — WO disclosed
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