SCHEMBL1679820

SCHEMBL1679820

Cc1cc(CC(=O)N(C)N)on1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VHL P40337 2/20 0.53
HCAR2 Q8TDS4 1/20 0.41
MLNR O43193 1/20 0.39
CYP3A4 P08684 1/20 0.39
RAB9A P51151 2/20 0.38
NPC1 O15118 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
EPHX2 P34913 2/20 0.38
P2RX7 Q99572 1/20 0.38
ALDH1A1 P00352 2/20 0.37
POLB P06746 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CCNE1 P24864 1/20 0.36
CDK2 P24941 1/20 0.36
GSK3B P49841 1/20 0.36
HDAC1 Q13547 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
TDP1 Q9NUW8 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
SCHEMBL14097635 0.86 VHL (0.55) VHLHCAR2MLNRCYP3A4RAB9A
SCHEMBL16748871 0.81 VHL (0.50) VHLHCAR2MLNRCYP3A4RAB9A
SCHEMBL1698651 0.79 VHL (0.58) VHLHCAR2RAB9ANPC1MEN1
SCHEMBL6251 0.77 VHL (0.60) VHLHCAR2MEN1KMT2AEPHX2
SCHEMBL4093165 0.77 VHL (0.60) VHLHCAR2RAB9ANPC1MEN1
SCHEMBL6709129 0.75 VHL (0.58) VHLHCAR2RAB9ANPC1MEN1
Hydrochloric Acid SCHEMBL1375734 0.75 VHL (0.58) VHLHCAR2MEN1KMT2AEPHX2
SCHEMBL314857 0.75 VHL (0.58) VHLHCAR2RAB9ANPC1MEN1
SCHEMBL4751904 0.75 VHL (0.54) VHLHCAR2RAB9AMEN1KMT2A
SCHEMBL2828248 0.75 VHL (0.67) VHLHCAR2MEN1KMT2AEPHX2

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-2011045271-A1 HERBICIDALLY ACTIVE, HETEROCYCLYL-SUBSTITUTED PYRIDAZINONES BAYER CROPSCIENCE AG (DE) 2011-04-21 WO disclosed