SCHEMBL22945860

SCHEMBL22945860

CCc1c(Cl)ccc(C(=O)c2c(C3CC3)nn(C)c2OCC(=O)c2ccc(C)cc2)c1Cl

nearest known ligand 0.33

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 6/20 0.33
HCRTR2 O43614 6/20 0.33
L3MBTL1 Q9Y468 4/20 0.32
LMNA P02545 3/20 0.32
MAPK1 P28482 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
ADORA2A P29274 1/20 0.31
MEN1 O00255 3/20 0.31
KMT2A Q03164 3/20 0.31
MAPT P10636 3/20 0.31
PTGDR2 Q9Y5Y4 1/20 0.30
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
PKM P14618 1/20 0.30
KDM4E B2RXH2 1/20 0.30
MCL1 Q07820 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
SCHEMBL22945858 0.94 KMT2A (0.33) L3MBTL1LMNAMAPK1MEN1KMT2A
SCHEMBL22945856 0.92 TSHR (0.32) L3MBTL1TDP1MEN1KMT2AMAPT
SCHEMBL22946173 0.88 SMN1; SMN2 (0.31) HCRTR1HCRTR2SMN1; SMN2
SCHEMBL22946175 0.87 ABCB1 (0.35) L3MBTL1LMNAMAPK1TDP1ADORA2A
SCHEMBL22945895 0.87 MEN1 (0.35) HCRTR1HCRTR2LMNAMEN1KMT2A
SCHEMBL22946320 0.87 MEN1 (0.34) HCRTR1HCRTR2L3MBTL1LMNAMEN1
SCHEMBL23061289 0.84 CNR1 (0.33) L3MBTL1LMNAMAPK1MEN1KMT2A
SCHEMBL23061290 0.82 HCRTR1 (0.33) HCRTR1HCRTR2
SCHEMBL23061288 0.82 ABCB1 (0.31)
SCHEMBL22945896 0.81 CNR1 (0.31) PKM

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-2021018135-A1 HETEROCYCLYL ALKYL SUBSTITUTED DICHLOROBENZOYL COMPOUNDS AND APPLICATIONS THEREOF 东莞市东阳光农药研发有限公司 2021-02-04 WO disclosed