SCHEMBL3102391

SCHEMBL3102391

O=C(O)c1nc(Br)[nH]c1Br

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIN1 Q13526 2/20 0.33
ALDH1A1 P00352 2/20 0.33
CYP1A2 P05177 1/20 0.33
MAPK1 P28482 1/20 0.33
CASP1 P29466 1/20 0.33
CYP2C19 P33261 1/20 0.33
MAPT P10636 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CDK9 P50750 1/20 0.33
DYRK1A Q13627 1/20 0.33
DYRK2 Q92630 1/20 0.33
DYRK1B Q9Y463 1/20 0.33
LDHA P00338 1/20 0.32
LDHB P07195 1/20 0.32
LMNA P02545 2/20 0.31
HCAR2 Q8TDS4 1/20 0.31
RNASEH1 O60930 1/20 0.31
ERCC1 P07992 1/20 0.31
FEN1 P39748 1/20 0.31
ERCC4 Q92889 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
SCHEMBL2522013 0.79 PIN1 (0.48) PIN1ALDH1A1CYP1A2MAPK1CASP1
SCHEMBL4841941 0.74 NPSR1 (0.52) ALDH1A1SMN1; SMN2RNASEH1ERCC1FEN1
SCHEMBL21609568 0.67 HCAR2 (0.36) HCAR2
SCHEMBL28824035 0.66 NPSR1 (0.47) PIN1ALDH1A1CYP1A2MAPK1CASP1
SCHEMBL589135 0.66 ALDH1A1 (0.40) PIN1ALDH1A1CYP1A2MAPK1CASP1
SCHEMBL11380261 0.65 ALDH1A1 (0.38) ALDH1A1MAPK1MAPTSMN1; SMN2LDHA
SCHEMBL10710790 0.64 GPR35 (0.37) PIN1ALDH1A1CYP1A2MAPK1CASP1
SCHEMBL22382 0.63 ALDH1A1 (0.55) PIN1ALDH1A1CYP1A2MAPK1CASP1
SCHEMBL2825615 0.62 LMNA (0.45) PIN1LMNA
SCHEMBL29757485 0.62

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2141151-B1 METHOD FOR PRODUCING 2-HALOIMIDAZOLE COMPOUND SHIKOKU CHEM (JP) 2013-03-20 EP disclosed
CN-101652350-B Method for producing 2-halogenoimidazole compound SHIKOKU CHEM 2012-05-09 CN disclosed
CN-101652350-A Make the method for 2-halo imidazolium compounds SHIKOKU CHEM JP 2010-02-17 CN disclosed
EP-2141151-A1 METHOD FOR PRODUCING 2-HALOIMIDAZOLE COMPOUND SHIKOKU CHEMICALS CORPORATION (JP) 2010-01-06 EP disclosed