SCHEMBL8900938

SCHEMBL8900938

CCN(CC)CCCNc1nc(NCC2CCC(CN)CC2)nc2c(OC)cccc12

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 2/20 0.44
KDM1A O60341 4/20 0.42
EHMT2 Q96KQ7 4/20 0.42
RCOR1 Q9UKL0 4/20 0.42
FLT3 P36888 3/20 0.42
PRKCQ Q04759 2/20 0.41
TOP2A P11388 1/20 0.40
POLB P06746 1/20 0.39
KMT5A Q9NQR1 1/20 0.38
HSP90AA1 P07900 1/20 0.37
HSP90AB1 P08238 1/20 0.37
RAD52 P43351 1/20 0.37
GAA P10253 1/20 0.37
NQO1 P15559 1/20 0.37
GSK3A P49840 1/20 0.37
GSK3B P49841 1/20 0.37

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
SCHEMBL8899767 0.95 PRKCQ (0.42) SLC2A1KDM1AEHMT2RCOR1FLT3
SCHEMBL8900924 0.89 VCP (0.46) SLC2A1KDM1AEHMT2RCOR1FLT3
SCHEMBL8911900 0.87 KDM1A (0.43) SLC2A1KDM1AEHMT2RCOR1PRKCQ
SCHEMBL8899747 0.83 VCP (0.47) SLC2A1
SCHEMBL8890083 0.83 POLB (0.55) SLC2A1KDM1AEHMT2FLT3TOP2A
SCHEMBL8908343 0.83 POLB (0.55) SLC2A1KDM1AEHMT2FLT3TOP2A
SCHEMBL8900115 0.79 NPY5R (0.46) PRKCQ
Hydrochloric Acid SCHEMBL8899118 0.78 NPY5R (0.45) PRKCQ
SCHEMBL8898707 0.77 FLT3 (0.48) SLC2A1FLT3TOP2APOLB
SCHEMBL8907203 0.77 FLT3 (0.50) SLC2A1FLT3TOP2APOLBKMT5A

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
WO-1997020823-A2 2-AMINO QUINAZOLINE DERIVATIVES AS NPY RECEPTOR ANTAGONISTS NOVARTIS AG (CH) 1997-06-12 WO claimed
WO-1997020823-A2 2-AMINO QUINAZOLINE DERIVATIVES AS NPY RECEPTOR ANTAGONISTS NOVARTIS AG (CH) 1997-06-12 WO disclosed