SCHEMBL22721385

SCHEMBL22721385

OB(O)c1ccc2c(c1)c1ccccc1n2-c1cccs1

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 1/20 0.34
▸ CA2 P00918 1/20 0.34
▸ KDM4E B2RXH2 2/20 0.33
▸ ATM Q13315 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ LMNA P02545 1/20 0.31
▸ POLB P06746 1/20 0.30
▸ MGLL Q99685 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
SCHEMBL22721369 0.91 CA1 (0.34) CA1CA2KDM4EATML3MBTL1
SCHEMBL7139964 0.81 KDM4E (0.46) KDM4EATML3MBTL1LMNAPOLB
SCHEMBL31151770 0.81 KDM4E (0.46) KDM4EATML3MBTL1LMNAPOLB
SCHEMBL18525478 0.79 KDM4E (0.52) CA1CA2KDM4EATML3MBTL1
SCHEMBL22721368 0.78 TSPO (0.40) KDM4EATML3MBTL1
SCHEMBL12522701 0.78 MAPT (0.41) KDM4EATML3MBTL1LMNAPOLB
SCHEMBL260470 0.77 KDM4E (0.60) CA1CA2KDM4EATML3MBTL1
SCHEMBL17885353 0.77 KDM4E (0.50) CA1CA2KDM4EATML3MBTL1
SCHEMBL29407532 0.77 KDM4E (0.60) CA1CA2KDM4EATML3MBTL1
SCHEMBL29943786 0.77 KDM4E (0.60) CA1CA2KDM4EATML3MBTL1

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-2020241730-A1 ARYLAMINE COMPOUND AND USE THEREOF 日産化学株式会社 2020-12-03 — — WO disclosed
Send feedback