SCHEMBL28637700

SCHEMBL28637700

CCN(C)C=Nc1c(C)cc(Cl)cc1Nc1ccc(OC)c(F)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GALR2 O43603 2/20 0.37
BCL6 P41182 1/20 0.34
TUBB1 Q9H4B7 3/20 0.34
ABCG2 Q9UNQ0 2/20 0.34
ABCB1 P08183 1/20 0.34
ABCC1 P33527 1/20 0.34
P2RX3 P56373 1/20 0.33
RAB9A P51151 1/20 0.33
IDO1 P14902 1/20 0.33
TDO2 P48775 1/20 0.33
KCNH2 Q12809 1/20 0.33
GALR1 P47211 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
JAK2 O60674 1/20 0.32
JAK1 P23458 1/20 0.32
TYK2 P29597 1/20 0.32
JAK3 P52333 1/20 0.32
EGFR P00533 3/20 0.32
KDR P35968 1/20 0.32
BACE2 Q9Y5Z0 1/20 0.32

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
SCHEMBL28645290 0.89 GALR2 (0.41) GALR2TUBB1ABCG2ABCB1ABCC1
SCHEMBL22231920 0.86 GALR2 (0.37) GALR2BCL6TUBB1ABCG2ABCB1
SCHEMBL22231917 0.86 GALR2 (0.37) GALR2BCL6TUBB1ABCG2ABCB1
SCHEMBL22232172 0.81 GALR2 (0.39) GALR2BCL6TUBB1ABCG2ABCB1
SCHEMBL22232170 0.81 GALR2 (0.39) GALR2BCL6TUBB1ABCG2ABCB1
SCHEMBL28642106 0.80 RAPGEF4 (0.38) RAB9A
SCHEMBL22232249 0.78 GALR2 (0.38) GALR2BCL6TUBB1ABCG2ABCB1
SCHEMBL22232252 0.78 GALR2 (0.38) GALR2BCL6TUBB1ABCG2ABCB1
SCHEMBL22231883 0.77 GALR2 (0.41) GALR2BCL6TUBB1ABCG2ABCB1
SCHEMBL22231885 0.77 GALR2 (0.41) GALR2BCL6TUBB1ABCG2ABCB1

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
CN-113454063-A 3-substituted phenylamidine compounds, preparation method and application thereof PI工业有限公司 2021-09-28 CN claimed