SCHEMBL27596019

SCHEMBL27596019

CC(CN)(OC(N)=O)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.48
KMT2A Q03164 1/20 0.48
CYP2C19 P33261 1/20 0.47
HIF1A Q16665 1/20 0.47
TAAR1 Q96RJ0 1/20 0.47
CYP1A2 P05177 2/20 0.41
CYP2D6 P10635 1/20 0.41
CYP3A4 P08684 1/20 0.40
RECQL P46063 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
KIF11 P52732 4/20 0.39
KCNN4 O15554 1/20 0.39
MAPK1 P28482 2/20 0.39
ALDH1A1 P00352 1/20 0.38
ALOX15 P16050 1/20 0.38
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC2 Q92769 1/20 0.38

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
SCHEMBL28615506 0.87 CYP2C19 (0.48) MAPTKMT2ACYP2C19HIF1ATAAR1
SCHEMBL27838486 0.86 MAPT (0.46) MAPTKMT2ACYP2C19HIF1ATAAR1
SCHEMBL2283147 0.86 MAPT (0.48) MAPTKMT2ACYP2C19HIF1ATAAR1
SCHEMBL29118559 0.86 KMT2A (0.48) MAPTKMT2ACYP2C19HIF1ATAAR1
SCHEMBL16028069 0.84 MAPT (0.47) MAPTKMT2ACYP2C19HIF1ATAAR1
SCHEMBL340104 0.84 CYP2C19 (0.46) MAPTKMT2ACYP2C19HIF1ATAAR1
SCHEMBL1742568 0.84 CYP2C19 (0.46) MAPTKMT2ACYP2C19HIF1ATAAR1
SCHEMBL10518614 0.84 MAPT (0.47) MAPTKMT2ACYP2C19HIF1ATAAR1
SCHEMBL7619909 0.83 SLC6A2 (0.48) MAPTKMT2ACYP2C19HIF1ATAAR1
SCHEMBL29118554 0.83 MAPT (0.46) MAPTKMT2ACYP2C19HIF1ATAAR1

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
CN-1481369-A Substituted phenyluracils compound �ݶ�ũ�����ѧ�ɷݹ�˾ 2004-03-10 CN disclosed
CN-86104807-A Carbonylation method 1987-02-25 CN disclosed