SCHEMBL27858932

SCHEMBL27858932

CC(C)(C)C(=O)ON1CCCC(Cn2ccc(Br)cc2=O)C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.32
KDM2B Q8NHM5 2/20 0.32
BRD4 O60885 2/20 0.32
KDM4E B2RXH2 2/20 0.32
CCR5 P51681 1/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
TSHR P16473 1/20 0.32
KMT2A Q03164 1/20 0.32
FEN1 P39748 1/20 0.31
LMNA P02545 1/20 0.31
HTR7 P34969 1/20 0.31
USP30 Q70CQ3 1/20 0.31
GABRA1 P14867 1/20 0.31
GABRG2 P18507 1/20 0.31
GABRB3 P28472 1/20 0.31
GABRA5 P31644 1/20 0.31
GABRA3 P34903 1/20 0.31
GABRA2 P47869 1/20 0.31
GABRA4 P48169 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
SCHEMBL3660874 0.81 FEN1 (0.48) MEN1ALDH1A1KMT2AFEN1USP30
SCHEMBL31108111 0.77 IDO1 (0.46) KDM4EFEN1USP30
SCHEMBL28129907 0.75 ENO1 (0.33) MEN1ALDH1A1KMT2A
SCHEMBL31108104 0.74 FPR2 (0.51) KDM4E
SCHEMBL29079028 0.74 HTR7 (0.42) CNR1KDM4EALDH1A1KMT2AHTR7
SCHEMBL31108119 0.73 USP30 (0.43) KDM4EUSP30
SCHEMBL27737960 0.72 ALDH1A1 (0.33) MEN1ALDH1A1KMT2A
SCHEMBL28294099 0.71 ALDH1A1 (0.35) MEN1ALDH1A1KMT2A
SCHEMBL1035189 0.71 PI4KA (0.45) KMT2AHTR7
SCHEMBL27737962 0.70 ENO1 (0.33) MEN1ALDH1A1KMT2A

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-102015700-A Antibacterial condensed thiazoles PROLYSIS LTD 2011-04-13 CN disclosed