SCHEMBL6177593

SCHEMBL6177593

CCc1ccnc(Br)c1Br

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.50
GABRB2 P47870 2/20 0.50
HPGD P15428 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NOS3 P29474 2/20 0.33
NOS2 P35228 2/20 0.33
PDE3B Q13370 2/20 0.33
PDE3A Q14432 2/20 0.33
NOS1 P29475 1/20 0.33
TRIM24 O15164 1/20 0.33
TRIM33 Q9UPN9 1/20 0.33
HTR1A P08908 1/20 0.31
TAAR1 Q96RJ0 1/20 0.31
CYP2E1 P05181 1/20 0.30
CYP2C8 P10632 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2A6 P11509 1/20 0.30
CYP2B6 P20813 1/20 0.30
CYP2C19 P33261 1/20 0.30
CYP11B1 P15538 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
SCHEMBL17679287 0.80 GABRA1 (0.48) GABRA1GABRB2HPGDSMN1; SMN2NOS3
SCHEMBL6176166 0.79 HPGD (0.31) HPGDSMN1; SMN2PDE3BPDE3ATRIM24
SCHEMBL18066852 0.78 NOS2 (0.47) GABRA1GABRB2HPGDSMN1; SMN2NOS3
SCHEMBL31299228 0.77 KDM4E (0.41) HPGDSMN1; SMN2CYP11B1CYP11B2
SCHEMBL845797 0.77 HTT (0.37) HPGDSMN1; SMN2CYP11B1CYP11B2
SCHEMBL7259584 0.77 LIPG (0.40) HPGDSMN1; SMN2
SCHEMBL24344266 0.75 HPGD (0.46) GABRA1GABRB2HPGDSMN1; SMN2
SCHEMBL7259052 0.75 KDM4E (0.40) GABRA1GABRB2SMN1; SMN2
SCHEMBL27574983 0.74 CA12 (0.39) GABRA1GABRB2SMN1; SMN2
SCHEMBL8775296 0.74 KDM4E (0.43) GABRA1GABRB2SMN1; 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1427719-B1 4-ALKYL-SUBSTITUTE THIENYLOXY-PYRIDINES BASF AG (DE) 2005-11-02 EP disclosed
EP-1427719-A1 4-ALKYL-SUBSTITUTE THIENYLOXY-PYRIDINES BASF AKTIENGESELLSCHAFT (DE) 2004-06-16 EP disclosed
WO-2003022831-A1 4-ALKYL-SUBSTITUTE THIENYLOXY-PYRIDINES BASF AKTIENGESELLSCHAFT (DE) 2003-03-20 WO disclosed