SCHEMBL28469749

SCHEMBL28469749

C=CC(=O)C(C(C)=O)c1ccc(Cl)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.50
HDAC4 P56524 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC5 Q9UQL6 1/20 0.42
BCL2A1 Q16548 1/20 0.39
FFAR2 O15552 1/20 0.38
TSHR P16473 2/20 0.37
ALOX15 P16050 1/20 0.37
APEX1 P27695 1/20 0.37
POLB P06746 2/20 0.36
ADRB2 P07550 1/20 0.35
NPC1 O15118 1/20 0.35
GAA P10253 1/20 0.35
HTT P42858 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
SLC6A4 P31645 1/20 0.35
SLC6A3 Q01959 1/20 0.35
GABBR2 O75899 3/20 0.34
GABBR1 Q9UBS5 3/20 0.34

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
SCHEMBL8028836 0.84 ESR1 (0.43) BRD4TSHRALOX15GAASLC6A3
SCHEMBL28468309 0.84 TGM2 (0.42) POLBHTTSMN1; SMN2LMNACNR1
SCHEMBL7252884 0.82 HDAC3 (0.42) HDAC4HDAC7HDAC5POLBGAA
SCHEMBL28900487 0.80 MEN1 (0.41) POLBNPC1GAAHTTRAB9A
SCHEMBL28470051 0.79 CYP1A2 (0.39) TSHRNPC1HTTRAB9ASMN1; SMN2
SCHEMBL8040582 0.79 MAPT (0.48) ALOX15NPC1RAB9ACYP3A4MEN1
SCHEMBL28224852 0.78 KDM4E (0.39) SMN1; SMN2THRB
SCHEMBL8028848 0.78 MAPT (0.38) TSHRGAAHTT
SCHEMBL8042292 0.78 TGM2 (0.45) CYP1A2
SCHEMBL38660598 0.77 BRD4 (0.57) BRD4HDAC4HDAC7HDAC5FFAR2

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-108358831-B Polysubstituted carbazole derivative and preparation method thereof 山东师范大学 2020-09-29 CN disclosed