SCHEMBL7690605

SCHEMBL7690605

Cc1c(-c2ccc(Cl)cc2F)nn(C)c1C#N

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 3/20 0.39
CRHR1 P34998 3/20 0.36
ADORA2A P29274 2/20 0.36
ADORA2B P29275 2/20 0.36
SLC34A1 Q06495 3/20 0.35
PDE2A O00408 2/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
NSD2 O96028 1/20 0.34
USP8 P40818 1/20 0.34
USP7 Q93009 1/20 0.34
BCHE P06276 1/20 0.34
ADORA1 P30542 1/20 0.34
EGLN2 Q96KS0 1/20 0.33

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
SCHEMBL7695108 0.81 NPSR1 (0.39) HSD11B1CRHR1SLC34A1PDE2AMEN1
SCHEMBL7690463 0.80 TGFBR1 (0.34) PDE2AMEN1KMT2ANPSR1TDP1
SCHEMBL7686737 0.79 PDE10A (0.30)
SCHEMBL7688339 0.79 LMNA (0.32)
SCHEMBL7687809 0.79 AR (0.33)
SCHEMBL7690601 0.77 HSP90AB1 (0.39) PDE2AUSP8USP7
SCHEMBL8031860 0.77 HSD11B1 (0.40) HSD11B1CRHR1ADORA2AADORA2BSLC34A1
SCHEMBL7694533 0.75 NTRK1 (0.35) L3MBTL1
SCHEMBL7968440 0.73
SCHEMBL7691483 0.73 KDM1A (0.32) MEN1KMT2A

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
US-6339046-B1 FOR CONTROLLING WEEDS SYNGENTA INVESTMENT CORPORATION 2002-01-15 US disclosed
EP-0839808-A1 Pyrazole derivatives, processes for their preparation, and their use as herbicides Novartis AG (CH) 1998-05-06 EP disclosed