SCHEMBL14722967

SCHEMBL14722967

CCc1cc(N=O)ccc1N

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.44
▸ MAPT P10636 4/20 0.44
▸ POLB P06746 3/20 0.44
▸ MAPK1 P28482 5/20 0.34
▸ HSD17B10 Q99714 4/20 0.34
▸ TP53 P04637 3/20 0.34
▸ TSHR P16473 3/20 0.34
▸ HIF1A Q16665 2/20 0.34
▸ HTT P42858 2/20 0.34
▸ L3MBTL1 Q9Y468 2/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ PKM P14618 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ ATM Q13315 1/20 0.32
▸ GABRA1 P14867 1/20 0.32
▸ GABRB2 P47870 1/20 0.32
▸ MEN1 O00255 2/20 0.32
▸ HPGD P15428 2/20 0.32
▸ KMT2A Q03164 2/20 0.32
▸ CYP3A4 P08684 2/20 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
SCHEMBL13890689 0.85 ALDH1A1 (0.35) ALDH1A1MAPTPOLBMAPK1HSD17B10
SCHEMBL9877534 0.83 SKP2 (0.42) ALDH1A1MAPTPOLBTP53TSHR
SCHEMBL881183 0.81 ALDH1A1 (0.34) ALDH1A1MAPTPOLBMAPK1HSD17B10
SCHEMBL13678595 0.77 ALDH1A1 (0.35) ALDH1A1MAPTMAPK1HSD17B10TP53
SCHEMBL17633458 0.76 BCL2 (0.40) —
SCHEMBL10206836 0.75 TDP1 (0.43) ALDH1A1MAPTMAPK1HSD17B10TP53
SCHEMBL17633459 0.75 — —
SCHEMBL7065478 0.74 CYP3A4 (0.52) ALDH1A1MAPTMAPK1HSD17B10TP53
SCHEMBL28289687 0.73 MEN1 (0.59) ALDH1A1MAPTPOLBMAPK1HSD17B10
SCHEMBL94119 0.73 ALDH1A1 (0.50) ALDH1A1MAPTPOLBMAPK1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2748311-A2 GLUCOSE OXIDASE Roche Diagniostics GmbH (DE) 2014-07-02 — — EP disclosed
WO-2013026575-A2 GLUCOSE OXIDASE ROCHE DIAGNOSTICS GMBH (DE) 2013-02-28 — — WO disclosed
Send feedback