SCHEMBL10690798

SCHEMBL10690798

Cc1sc(CC(=O)O)cc1Br

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.41
HCAR3 P49019 1/20 0.40
HCAR2 Q8TDS4 1/20 0.40
THRB P10828 7/20 0.39
PDE4B Q07343 1/20 0.38
PDE4D Q08499 1/20 0.38
THRA P10827 6/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
KMT2A Q03164 2/20 0.35
HPGD P15428 1/20 0.35
MAPT P10636 3/20 0.35
RECQL P46063 1/20 0.35
BLM P54132 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
NR1D1 P20393 1/20 0.35
NR1H3 Q13133 1/20 0.35
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
DAO P14920 1/20 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
SCHEMBL3444431 0.80 MAPT (0.50) POLBL3MBTL1KMT2AHPGDMAPT
SCHEMBL29185140 0.80 GSK3B (0.50) POLBTHRBTHRAL3MBTL1KMT2A
SCHEMBL4367730 0.77 POLB (0.41) POLBTHRBTHRAL3MBTL1KMT2A
SCHEMBL1199489 0.75
SCHEMBL29185145 0.73 POLB (0.38) POLBTHRBTHRAL3MBTL1KMT2A
SCHEMBL14546650 0.73
SCHEMBL5582086 0.72 POLB (0.40) POLBTHRBTHRAL3MBTL1KMT2A
SCHEMBL21617942 0.70 POLB (0.48) POLBL3MBTL1KMT2AHPGDMAPT
SCHEMBL1529532 0.69 DAO (0.63) HCAR3HCAR2KMT2AMAPTKDM4E
SCHEMBL28736806 0.69 DAO (0.53) POLBPDE4DL3MBTL1KMT2AHPGD

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-1337961-A Heteroaryl amidines, methyl amidiues and guanidines as protease inhibitors DIMENSIONAL PHARM INC (US) 2002-02-27 CN disclosed
US-4722933-A GLAUCOMA TREATMENT NELSON RESEARCH & DEVELOPMENT CO. (US) 1988-02-02 US disclosed