SCHEMBL3661600

SCHEMBL3661600

CCc1cc(Br)ccc1[Pb]

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.40
HPGD P15428 3/20 0.40
TSHR P16473 2/20 0.40
LMNA P02545 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
GABRA1 P14867 1/20 0.39
GABRB2 P47870 1/20 0.39
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 1/20 0.36
POLB P06746 1/20 0.36
GLA P06280 1/20 0.35
MAPK1 P28482 1/20 0.35
CYP1A2 P05177 2/20 0.34
CYP2C9 P11712 2/20 0.34
CYP2C19 P33261 2/20 0.34
ALOX15 P16050 1/20 0.34
CASP1 P29466 1/20 0.34
PRNP P04156 1/20 0.34
PPARG P37231 1/20 0.34
HIF1A Q16665 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
Acetic Acid SCHEMBL403378 0.90 CYP1A2 (0.40) SMN1; SMN2HPGDTSHRLMNAL3MBTL1
SCHEMBL7787482 0.78 GABRA1 (0.44) SMN1; SMN2HPGDTSHRLMNAL3MBTL1
SCHEMBL196777 0.76 HSP90AA1 (0.46) SMN1; SMN2HPGDTSHRLMNAL3MBTL1
SCHEMBL12798321 0.76 S100A4 (0.46) SMN1; SMN2HPGDTSHRLMNAL3MBTL1
SCHEMBL29590656 0.76 HSP90AA1 (0.46) SMN1; SMN2HPGDTSHRLMNAL3MBTL1
SCHEMBL8365116 0.74 SMN1; SMN2 (0.41) SMN1; SMN2HPGDTSHRLMNAL3MBTL1
Acetic Acid SCHEMBL404308 0.74 PRNP (0.40) SMN1; SMN2LMNAL3MBTL1ALDH1A1KDM4E
SCHEMBL16958593 0.73 GABRA1 (0.39) SMN1; SMN2HPGDTSHRLMNAL3MBTL1
SCHEMBL43286 0.73 GABRA1 (0.44) SMN1; SMN2HPGDTSHRLMNAL3MBTL1
SCHEMBL3661598 0.73 SMN1; SMN2 (0.40) SMN1; SMN2HPGDTSHRLMNAL3MBTL1

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-2222657-B1 PYRANDIONES, THIOPYRANDIONES AND CYCLOHEXANTRIONES HAVING HERBICIDAL PROPERTIES SYNGENTA LTD (GB) 2012-09-12 EP disclosed
EP-2222657-A1 4-PHENYLPYRANE-3,5-DIONES, 4-PHENYLTHIOPYRANE-3,5-DIONES AND 2-PHENYLCYCLOHEXANE-1,3,5-TRIONES AS HERBICIDES Syngenta Limited (GB) 2010-09-01 EP disclosed
WO-2009074314-A1 4-PHENYLPYRANE-3,5-DIONES, 4-PHENYLTHIOPYRANE-3,5-DIONES AND 2-PHENYLCYCLOHEXANE-1,3,5-TRIONES AS HERBICIDES SYNGENTA LIMITED (GB) 2009-06-18 WO disclosed