SCHEMBL28017429

SCHEMBL28017429

ON1c2ccccc2C=CC1I

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
LMNA P02545 3/20 0.37
TSHR P16473 2/20 0.37
MAPK1 P28482 2/20 0.37
SCN4A P35499 1/20 0.37
SCN5A Q14524 1/20 0.37
SCN9A Q15858 1/20 0.37
P2RX4 Q99571 12/20 0.37
P2RX1 P51575 6/20 0.37
P2RX3 P56373 6/20 0.37
P2RX7 Q99572 3/20 0.37
SMN1; SMN2 Q16637 3/20 0.36
NPSR1 Q6W5P4 2/20 0.36
ALDH1A1 P00352 2/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
PTBP1 P26599 1/20 0.32
MTNR1A P48039 1/20 0.30

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
SCHEMBL31558693 0.78 MEN1 (0.40) MEN1KMT2ALMNATSHRMAPK1
SCHEMBL2402302 0.78 MEN1 (0.40) MEN1KMT2ALMNATSHRMAPK1
SCHEMBL28016737 0.76 KMT2A (0.39) MEN1KMT2ALMNATSHRMAPK1
SCHEMBL28808874 0.72 P2RX4 (0.41) MEN1KMT2ALMNATSHRMAPK1
SCHEMBL28886571 0.72 SMN1; SMN2 (0.42) MEN1KMT2ALMNATSHRMAPK1
SCHEMBL5527248 0.72 ALDH1A1 (0.42) MEN1KMT2ALMNATSHRMAPK1
SCHEMBL4971001 0.66 LMNA (0.52) LMNATSHRMAPK1SCN4ASCN5A
SCHEMBL3253414 0.64 MEN1 (0.42) MEN1KMT2ALMNATSHRMAPK1
SCHEMBL5375186 0.64 LMNA (0.41) MEN1KMT2ALMNATSHRMAPK1
SCHEMBL4276864 0.63 MEN1 (0.49) MEN1KMT2ALMNATSHRMAPK1

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-104812751-A Nitrogen-containing heterocyclic compounds for the control of plant diseases BAYER CROPSCIENCE AG 2015-07-29 CN disclosed