SCHEMBL12349886

SCHEMBL12349886

CCN(CC)CCn1nc2c3c(c1=O)=CCCC=3c1ccccc1-2

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 3/20 0.54
▸ NPC1 O15118 1/20 0.54
▸ MITF O75030 1/20 0.54
▸ DNMT1 P26358 1/20 0.54
▸ HTT P42858 1/20 0.54
▸ RAD52 P43351 1/20 0.54
▸ RAB9A P51151 1/20 0.54
▸ KMT2A Q03164 1/20 0.54
▸ SMN1; SMN2 Q16637 1/20 0.54
▸ UHRF1 Q96T88 1/20 0.54
▸ L3MBTL1 Q9Y468 1/20 0.54
▸ MAOB P27338 3/20 0.36
▸ KAT2B Q92831 1/20 0.34
▸ ACHE P22303 2/20 0.33
▸ PARP1 P09874 1/20 0.33
▸ TOP2A P11388 1/20 0.33
▸ BCHE P06276 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ MPO P05164 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
SCHEMBL12349852 0.70 POLB (1.00) POLBNPC1MITFDNMT1HTT
SCHEMBL30567461 0.70 POLB (1.00) POLBNPC1MITFDNMT1HTT
SCHEMBL15440670 0.64 POLB (0.60) POLBNPC1MITFDNMT1HTT
SCHEMBL10799708 0.61 POLB (0.55) POLBNPC1MITFDNMT1HTT
SCHEMBL13467765 0.61 POLB (0.65) POLBNPC1MITFDNMT1HTT
SCHEMBL10979328 0.61 SMN1; SMN2 (0.50) POLBNPC1MITFDNMT1HTT
SCHEMBL15440804 0.61 HTT (0.67) POLBNPC1MITFDNMT1HTT
SCHEMBL11837490 0.60 HSD17B10 (0.56) POLBNPC1MITFDNMT1HTT
SCHEMBL929729 0.60 MAOB (0.77) POLBKMT2AMAOBACHEBCHE
SCHEMBL9464811 0.59 POLB (0.47) POLBNPC1MITFDNMT1HTT

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-2011094693-A1 INTERFERON-INDUCING COMPOUNDS AND USES THEREOF MOUNT SINAI SCHOOL OF MEDICINE (US) 2011-08-04 — — WO disclosed
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