SCHEMBL28098586

SCHEMBL28098586

Cc1cc(-c2c(F)cccc2F)cc(Cl)c1-c1ccnnc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK1D P48730 1/20 0.36
CSNK1E P49674 1/20 0.36
MAPK14 Q16539 1/20 0.36
ORAI1 Q96D31 1/20 0.34
F9 P00740 1/20 0.34
HCRTR1 O43613 1/20 0.33
HCRTR2 O43614 1/20 0.33
PTGES O14684 4/20 0.33
BRAF P15056 1/20 0.33
HDAC4 P56524 1/20 0.33
KAT6A Q92794 1/20 0.32
CYP11B2 P19099 1/20 0.32
ADORA2A P29274 1/20 0.32
ADORA2B P29275 1/20 0.32
ADORA1 P30542 1/20 0.32
GRIN2B Q13224 1/20 0.32
STING1 Q86WV6 1/20 0.32
SRC P12931 1/20 0.32
CYP2C9 P11712 1/20 0.31
FTO Q9C0B1 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
SCHEMBL28295766 0.77 WNT3A (0.42) CSNK1DCSNK1EMAPK14HCRTR1HCRTR2
SCHEMBL28185372 0.77 ORAI1 (0.38) CSNK1DCSNK1EMAPK14ORAI1HCRTR1
SCHEMBL28224493 0.74 GABRA1 (0.40) CSNK1DCSNK1EMAPK14HCRTR1HCRTR2
SCHEMBL28296425 0.74 HCRTR1 (0.38) CSNK1DCSNK1EMAPK14HCRTR1HCRTR2
SCHEMBL20403686 0.69 STING1 (0.42) HCRTR1HCRTR2BRAFCYP11B2STING1
SCHEMBL18248463 0.68 CYP11B2 (0.38) HDAC4KAT6ACYP11B2ADORA2AADORA2B
SCHEMBL28284386 0.66 MAP4K1 (0.38) HCRTR1HCRTR2KAT6ACYP11B2
SCHEMBL22635953 0.64 CYP11B2 (0.50) CSNK1DCSNK1EMAPK14CYP11B2ADORA2A
SCHEMBL17432889 0.63 WNT3A (0.39) HCRTR1HCRTR2HDAC4KAT6ACYP11B2
SCHEMBL13911005 0.62 LOXL2 (0.40) BRAFHDAC4CYP11B2

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-105263921-B Terazololine-one compound and its application 住友化学株式会社 2017-07-21 CN disclosed
CN-104822666-B Terazololine-one compound and application thereof 住友化学株式会社 2016-09-21 CN disclosed