SCHEMBL6232888

SCHEMBL6232888

N#CNC(=NCc1ccc(Oc2ccccc2)cc1)Oc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.49
LTA4H P09960 1/20 0.42
P2RX7 Q99572 2/20 0.40
IMPDH2 P12268 1/20 0.40
FFAR1 O14842 1/20 0.38
NAMPT P43490 4/20 0.37
P2RX3 P56373 1/20 0.37
SRD5A2 P31213 2/20 0.37
PLAAT3 P53816 1/20 0.36
PLAAT5 Q96KN8 1/20 0.36
PLAAT2 Q9NWW9 1/20 0.36
PLAAT4 Q9UL19 1/20 0.36
NAAA Q02083 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL3968978 0.91 KMT2A (0.54) KMT2AP2RX7IMPDH2NAMPT
SCHEMBL2854760 0.78 KMT2A (0.55) KMT2AP2RX7IMPDH2P2RX3
SCHEMBL2854762 0.78 KMT2A (0.55) KMT2AP2RX7IMPDH2P2RX3
SCHEMBL10656070 0.72 KMT2A (0.59) KMT2AP2RX7IMPDH2SMN1; SMN2
SCHEMBL10656076 0.72 KMT2A (0.59) KMT2AP2RX7IMPDH2SMN1; SMN2
SCHEMBL3421930 0.72 KMT2A (0.49) KMT2ALTA4HP2RX3
SCHEMBL3421929 0.72 KMT2A (0.49) KMT2ALTA4HP2RX3
SCHEMBL11246830 0.72 KMT2A (0.52) KMT2ALTA4HP2RX3SMN1; SMN2
SCHEMBL2087129 0.71 KMT2A (0.80) KMT2AIMPDH2SMN1; SMN2
SCHEMBL2087128 0.71 KMT2A (0.80) KMT2AIMPDH2SMN1; SMN2

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-2005000309-A2 CHEMICAL COMPOUNDS IONIX PHARMACEUTICALS LIMITED (GB) 2005-01-06 WO disclosed