SCHEMBL22112581

SCHEMBL22112581

COc1ccc(-c2nnc(-c3ccc(OC)cc3)nn2)cc1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.75
KDM4E B2RXH2 3/20 0.75
TP53 P04637 3/20 0.75
CLK4 Q9HAZ1 1/20 0.64
XDH P47989 1/20 0.59
CA12 O43570 1/20 0.58
CA1 P00915 1/20 0.58
CA2 P00918 1/20 0.58
CA7 P43166 1/20 0.58
CA9 Q16790 1/20 0.58
CA14 Q9ULX7 1/20 0.58
ESR2 Q92731 1/20 0.52
NPC1 O15118 6/20 0.50
RAB9A P51151 5/20 0.50
APP P05067 1/20 0.50
KMT2A Q03164 1/20 0.50
LTA4H P09960 1/20 0.50
SMN1; SMN2 Q16637 2/20 0.48
NPSR1 Q6W5P4 1/20 0.48
S1PR1 P21453 1/20 0.48

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
SCHEMBL22044398 0.91 MAPT (0.64) MAPTKDM4ETP53CLK4XDH
SCHEMBL10049796 0.91 MAPT (0.64) MAPTKDM4ETP53CLK4XDH
SCHEMBL607853 0.86 MAPT (1.00) MAPTKDM4ETP53CLK4XDH
SCHEMBL25440088 0.85 MAPT (0.58) MAPTKDM4ETP53CLK4XDH
SCHEMBL338452 0.84 CLK4 (0.64) MAPTKDM4ETP53CLK4XDH
SCHEMBL31674641 0.84 KDM4E (0.56) MAPTKDM4ETP53CLK4XDH
SCHEMBL31674651 0.84 MAPT (0.56) MAPTKDM4ETP53CLK4XDH
SCHEMBL31674628 0.84 MAPT (0.56) MAPTKDM4ETP53CLK4XDH
SCHEMBL31674630 0.84 MAPT (0.56) MAPTKDM4ETP53CLK4XDH
SCHEMBL2876553 0.82 CLK4 (0.61) MAPTKDM4ETP53CLK4XDH

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
US-20200190293-A1 RUBBER COMPOSITION, METHOD FOR MANUFACTURING RUBBER COMPOSITION, AND TIRE BRIDGESTONE CORPORATION (JP) 2020-06-18 US disclosed