SCHEMBL9954596

SCHEMBL9954596

N#CN/C(=N\c1ccccc1C(=O)O)Oc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.56
CYP2C19 P33261 1/20 0.40
MAPT P10636 4/20 0.38
KDM4E B2RXH2 4/20 0.38
TDP1 Q9NUW8 2/20 0.38
HPGD P15428 3/20 0.36
HSD17B10 Q99714 3/20 0.36
ALOX15 P16050 2/20 0.36
IDE P14735 1/20 0.36
P2RX3 P56373 1/20 0.35
ALDH1A1 P00352 4/20 0.35
GAA P10253 2/20 0.35
MEN1 O00255 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MYC P01106 1/20 0.33
ESR1 P03372 1/20 0.33
ITGB3 P05106 1/20 0.33
ITGA2B P08514 1/20 0.33
HMGB1 P09429 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
SCHEMBL9954599 1.00 KMT2A (0.56) KMT2ACYP2C19MAPTKDM4ETDP1
SCHEMBL11244923 0.81 KMT2A (0.59) KMT2AMAPTKDM4EHPGDHSD17B10
SCHEMBL4781017 0.80 KMT2A (0.58) KMT2AALOX15P2RX3MEN1ESR1
SCHEMBL11174716 0.80 KMT2A (0.58) KMT2AMAPTP2RX3ALDH1A1GAA
SCHEMBL4781020 0.80 KMT2A (0.58) KMT2AALOX15P2RX3MEN1ESR1
SCHEMBL2086875 0.78 KMT2A (0.56) KMT2AMAPTHPGDHSD17B10P2RX3
SCHEMBL2086872 0.78 KMT2A (0.56) KMT2AMAPTHPGDHSD17B10P2RX3
SCHEMBL3402743 0.77 KMT2A (0.80) KMT2AMAPTTDP1ALDH1A1GAA
SCHEMBL2087129 0.77 KMT2A (0.80) KMT2AMAPTTDP1ALDH1A1GAA
SCHEMBL2087128 0.77 KMT2A (0.80) KMT2AMAPTTDP1ALDH1A1GAA

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-2012087938-A1 QUINAZOLINONE DERIVATIVES AS ANTIVIRAL AGENTS GLAXOSMITHKLINE LLC (US) 2012-06-28 WO disclosed