SCHEMBL20847441

SCHEMBL20847441

CNc1c[n+](OC)c(Br)cc1[N+](=O)[O-]

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 1/20 0.40
HTT P42858 1/20 0.38
LMNA P02545 2/20 0.38
ALDH3A1 P30838 1/20 0.38
MAPT P10636 8/20 0.36
ALDH1A1 P00352 5/20 0.36
MAPK1 P28482 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
KMT2A Q03164 2/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
MEN1 O00255 1/20 0.36
GALR2 O43603 1/20 0.35
POLB P06746 1/20 0.35
CDC25B P30305 1/20 0.35
PKM P14618 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
HPGD P15428 1/20 0.34

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
SCHEMBL1338313 0.80 HCAR3 (0.43) HCAR3HTTLMNAMAPTALDH1A1
SCHEMBL20847514 0.78 VCAM1 (0.40) HTTLMNAMAPTALDH1A1MAPK1
SCHEMBL19497649 0.78 HCAR3 (0.45) HCAR3HTTLMNAALDH3A1MAPT
SCHEMBL2237080 0.71 HCAR3 (0.36) HCAR3HTTLMNAMAPTALDH1A1
SCHEMBL23291672 0.69 MAPT (0.44) HCAR3HTTLMNAMAPTALDH1A1
SCHEMBL20924472 0.69 MAPT (0.39) HCAR3HTTALDH3A1MAPTALDH1A1
SCHEMBL29751370 0.69 MAPT (0.45) HCAR3HTTLMNAMAPTALDH1A1
SCHEMBL26654486 0.69 MAPT (0.45) HCAR3HTTLMNAMAPTALDH1A1
SCHEMBL10981845 0.68 HCAR3 (0.55) HCAR3HTTLMNAMAPTALDH1A1
SCHEMBL430629 0.68 MAPT (0.59) HCAR3LMNAMAPTALDH1A1MAPK1

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-3778599-A2 PESTICIDALLY ACTIVE BI- OR TRICYCLIC HETEROCYCLES WITH SULFUR CONTAINING SUBSTITUENTS SYNGENTA PARTICIPATIONS AG (CH) 2021-02-17 EP disclosed
EP-3778598-A2 PESTICIDALLY ACTIVE BI- OR TRICYCLIC HETEROCYCLES WITH SULFUR CONTAINING SUBSTITUENTS SYNGENTA PARTICIPATIONS AG (CH) 2021-02-17 EP disclosed
EP-3016949-B1 PESTICIDALLY ACTIVE BI- OR TRICYCLIC HETEROCYCLES WITH SULFUR CONTAINING SUBSTITUENTS SYNGENTA PARTICIPATIONS AG (CH) 2020-05-13 EP disclosed
EP-3240786-B1 PESTICIDALLY ACTIVE POLYCYCLIC DERIVATIVES WITH SULFUR CONTAINING SUBSTITUENTS SYNGENTA PARTICIPATIONS AG (CH) 2019-03-27 EP disclosed