SCHEMBL28841983

SCHEMBL28841983

CSc1ccc(Br)c(C(=O)O)c1C

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.36
GPR35 Q9HC97 1/20 0.33
PDE10A Q9Y233 1/20 0.32
PKM P14618 1/20 0.32
LIG1 P18858 1/20 0.32
DHODH Q02127 1/20 0.31
PTGFR P43088 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
LDHA P00338 1/20 0.31
LDHB P07195 1/20 0.31
LCK P06239 1/20 0.31
FYN P06241 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
TAS1R3 Q7RTX0 1/20 0.30
TAS1R1 Q7RTX1 1/20 0.30
ALDH1A1 P00352 1/20 0.30
MAPT P10636 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL29684453 0.80 GPR35 (0.38) GPR35PDE10AMEN1KMT2ALDHA
SCHEMBL28792146 0.80 GPR35 (0.38) GPR35PDE10AMEN1KMT2ALDHA
SCHEMBL21261563 0.77 CA12 (0.40) MEN1KMT2AALDH1A1MAPT
SCHEMBL6825576 0.75 CA12 (0.41) GPR35PKMLDHALDHBL3MBTL1
SCHEMBL4422996 0.75 CYP1A2 (0.41) GPR35LCKFYNSMN1; SMN2
SCHEMBL701678 0.73
SCHEMBL29603808 0.73
SCHEMBL6057640 0.73 KDM4E (0.41) GPR35PDE10APKMMEN1KMT2A
SCHEMBL28815980 0.73 FABP3 (0.40) GPR35PDE10AMEN1KMT2ALDHA
SCHEMBL31472410 0.72 CCR2 (0.31) ALDH1A1MAPTSMN1; SMN2

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-106660951-A Herbicidally active N- (1-methyltetrazol-5-yl) benzoic acid amides 拜耳作物科学股份公司 2017-05-10 CN disclosed