SCHEMBL8800364

SCHEMBL8800364

COc1nn2cccc(Cl)c2c1C(C)=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EPHB3 P54753 3/20 0.36
▸ MAPT P10636 4/20 0.35
▸ POLB P06746 1/20 0.35
▸ NPC1 O15118 6/20 0.35
▸ RAB9A P51151 5/20 0.35
▸ PAX8 Q06710 1/20 0.35
▸ TP53 P04637 3/20 0.34
▸ PKM P14618 1/20 0.34
▸ NFKB1 P19838 1/20 0.34
▸ NFKB2 Q00653 1/20 0.34
▸ RELA Q04206 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ MAPK1 P28482 1/20 0.32
▸ CCR4 P51679 1/20 0.32
▸ GAA P10253 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ ATM Q13315 1/20 0.31

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
SCHEMBL9843594 0.76 NUDT1 (0.36) EPHB3MAPTPOLBNPC1RAB9A
SCHEMBL11727064 0.75 ALDH1A1 (0.48) MAPTNPC1RAB9ATP53PKM
Hydrochloric Acid SCHEMBL8801433 0.75 NUDT1 (0.35) EPHB3MAPTPOLBNPC1RAB9A
SCHEMBL682711 0.70 GAA (0.40) NPC1RAB9ATP53MEN1KMT2A
SCHEMBL684221 0.68 PDE4B (0.60) EPHB3MAPTNPC1RAB9ATP53
SCHEMBL2961663 0.67 TP53 (0.37) POLBTP53SMN1; SMN2MEN1KMT2A
SCHEMBL30630756 0.66 ALDH1A1 (0.48) MAPTNPC1RAB9ATP53PKM
SCHEMBL7373297 0.65 POLB (0.39) EPHB3MAPTPOLBNPC1RAB9A
SCHEMBL9283378 0.65 MIF (0.47) MAPTPOLBNPC1RAB9ATP53
SCHEMBL17290435 0.65 RAB9A (0.49) MAPTPOLBNPC1RAB9APAX8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0433854-B1 3-Aminopyrazolo heterocycles, their use for the determination of hydrogen peroxide, hydrogen peroxide forming systems, peroxidase, peroxidant active substances or electron rich aromatic compounds, corresponding determination process and agents BOEHRINGER MANNHEIM GMBH (DE) 1997-06-18 — — EP disclosed
US-5457200-A Oxidative coupling reactions for determination of hydrogen peroxide BOEHRINGER MANNHEIM (DE) 1995-10-10 — — US disclosed
US-5234818-A Detecting hydrogen peroxide, peroxidase by oxidative coupling with electron-rich aromatic compound BOEHRINGER MANNHEIM GMBH (DE) 1993-08-10 — — US disclosed
EP-0433854-A2 3-Aminopyrazolo heterocycles, their use for the determination of hydrogen peroxide, hydrogen peroxide forming systems, peroxidase, peroxidant active substances or electron rich aromatic compounds, corresponding determination process and agents Roche Diagnostics GmbH (DE) 1991-06-26 — — EP disclosed
Send feedback