SCHEMBL7541135

SCHEMBL7541135

O=C(O)Oc1cnc(Cl)cn1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SIRT6 Q8N6T7 2/20 0.44
NAPRT Q6XQN6 1/20 0.39
JUN P05412 1/20 0.32
NFKB1 P19838 1/20 0.32
NFKB2 Q00653 1/20 0.32
RELA Q04206 1/20 0.32
KCNQ3 O43525 1/20 0.32
KCNQ2 O43526 1/20 0.32
MAPT P10636 2/20 0.31
RAB9A P51151 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
P2RX3 P56373 3/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
LIPE Q05469 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
SCHEMBL687107 0.87 SIRT6 (0.39) SIRT6NAPRTMAPTL3MBTL1MEN1
SCHEMBL9310457 0.85 SIRT6 (0.45) SIRT6NAPRTJUNNFKB1NFKB2
SCHEMBL27696455 0.82 SIRT6 (0.42) SIRT6NAPRTJUNNFKB1NFKB2
SCHEMBL29177447 0.82 SIRT6 (0.52) SIRT6NAPRTJUNNFKB1NFKB2
SCHEMBL29017947 0.79 SIRT6 (0.40) SIRT6NAPRTJUNNFKB1NFKB2
SCHEMBL9017636 0.78 SIRT6 (0.34) SIRT6MAPTL3MBTL1MEN1KMT2A
SCHEMBL29760620 0.76 KMT2A (0.49) SIRT6NAPRTMAPTMEN1KMT2A
SCHEMBL22588560 0.76 KMT2A (0.49) SIRT6NAPRTMAPTMEN1KMT2A
SCHEMBL16827291 0.75 SIRT6 (0.32) SIRT6MAPTL3MBTL1
SCHEMBL4202441 0.75 KMT2A (0.41) SIRT6MAPTRAB9AL3MBTL1MEN1

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-2002029021-A2 BIOTECHNOLOGICAL METHOD FOR PREPARING CARBOXYLIC ACIDS WITH A HYDROXY-NITROGEN HETEROCYCLE LONZA AG (CH) 2002-04-11 WO disclosed