SCHEMBL28136341

SCHEMBL28136341

O=CC1C=Cc2ccccc2N1F

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
TSHR P16473 2/20 0.36
MAPK1 P28482 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
LMNA P02545 2/20 0.34
SCN4A P35499 1/20 0.34
SCN5A Q14524 1/20 0.34
SCN9A Q15858 1/20 0.34
P2RX4 Q99571 5/20 0.34
P2RX1 P51575 2/20 0.34
P2RX3 P56373 2/20 0.34
P2RX7 Q99572 1/20 0.34
MTNR1A P48039 1/20 0.31
MTNR1B P49286 1/20 0.31

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
SCHEMBL31067284 0.79 MEN1 (0.40) MEN1KMT2ATSHRMAPK1SMN1; SMN2
SCHEMBL5796284 0.79 MEN1 (0.40) MEN1KMT2ATSHRMAPK1SMN1; SMN2
SCHEMBL28137090 0.78 TSHR (0.34) MEN1KMT2ATSHRMAPK1SMN1; SMN2
SCHEMBL28322920 0.76 MEN1 (0.38) MEN1KMT2ATSHRMAPK1SMN1; SMN2
SCHEMBL28264384 0.74 P2RX4 (0.33) MEN1KMT2ATSHRMAPK1SMN1; SMN2
SCHEMBL28264402 0.73
SCHEMBL28263284 0.67
SCHEMBL5174448 0.64 MEN1 (0.36) MEN1KMT2ATSHRMAPK1SMN1; SMN2
SCHEMBL27700833 0.64
SCHEMBL28000955 0.62 MEN1 (0.35) MEN1KMT2ATSHRMAPK1SMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104884453-B Anthelmintic compounds and compositions and methods of using the same 梅里亚股份有限公司 2018-06-22 CN disclosed
CN-106536518-A Anthelmintic compounds 梅里亚股份有限公司 2017-03-22 CN disclosed