SCHEMBL28049693

SCHEMBL28049693

CC(Br)c1cccc(O)c1C(C)Br

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 3/20 0.46
GABRB2 P47870 2/20 0.46
CA2 P00918 6/20 0.43
CA1 P00915 5/20 0.43
HPGD P15428 4/20 0.43
LMNA P02545 3/20 0.43
CYP3A4 P08684 3/20 0.43
TSHR P16473 2/20 0.43
GABRG2 P18507 2/20 0.43
GABRB3 P28472 2/20 0.43
BLM P54132 2/20 0.43
HIF1A Q16665 2/20 0.43
FAAH O00519 1/20 0.43
CYP1A2 P05177 1/20 0.43
GABRB1 P18505 1/20 0.43
PTGS1 P23219 1/20 0.43
SLC6A2 P23975 1/20 0.43
HTR2C P28335 1/20 0.43
GABRA5 P31644 1/20 0.43
GABRA3 P34903 1/20 0.43

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
SCHEMBL1415336 0.84 P2RX7 (0.45) GABRA1GABRB2CA2CA1HPGD
SCHEMBL5586737 0.80 HPGD (0.50) GABRA1GABRB2CA2CA1HPGD
SCHEMBL990718 0.79 GABRA1 (0.65) GABRA1GABRB2CA2CA1HPGD
SCHEMBL17471747 0.77 CES2 (0.37) GABRA1GABRB2CA2CA1HPGD
SCHEMBL2885020 0.76 P2RX7 (0.40) GABRA1GABRB2CA2CA1HPGD
SCHEMBL11859274 0.76 P2RX7 (0.40) GABRA1GABRB2CA2CA1HPGD
SCHEMBL10799338 0.73 P2RX7 (0.34) P2RX7
SCHEMBL478223 0.73 GABRA1 (0.62) GABRA1GABRB2CA2CA1HPGD
SCHEMBL30521988 0.73 GABRA1 (0.62) GABRA1GABRB2CA2CA1HPGD
SCHEMBL15558016 0.72 P2RX7 (0.35) GABRA1GABRB2CA2CA1HPGD

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-105189438-A Substituted aromatic compounds for treating fibrosis and related methods PROMETIC BIOSCIENCES INC 2015-12-23 CN disclosed