SCHEMBL17459339

SCHEMBL17459339

CCN1Cc2ccccc2OC(c2cc(Br)cs2)C1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 1/20 0.34
HSD17B3 P37058 1/20 0.33
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
SLC6A3 Q01959 1/20 0.32
ALDH1A1 P00352 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
ATM Q13315 1/20 0.30
DRD3 P35462 1/20 0.30
TSHR P16473 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
SCHEMBL17459294 0.82 KDM4E (0.33) SLC6A2SLC6A4SLC6A3TSHR
SCHEMBL17459364 0.81 SLC6A2 (0.41) SLC6A2SLC6A4SLC6A3ALDH1A1SMN1; SMN2
SCHEMBL17459287 0.80 LTA4H (0.38) SLC6A2SLC6A4SLC6A3
SCHEMBL17469111 0.80 DRD3 (0.40) HSD17B3SLC6A2SLC6A4SLC6A3DRD3
SCHEMBL17459293 0.78 SLC6A4 (0.46) SLC22A12SLC6A2SLC6A4SLC6A3
SCHEMBL17459281 0.77 KDM4E (0.33) SLC6A2SLC6A4SLC6A3ALDH1A1TSHR
SCHEMBL17469033 0.77 TSHR (0.30) SLC6A2SLC6A4SLC6A3TSHR
SCHEMBL17468345 0.77 MAOB (0.42) SLC6A2SLC6A4SLC6A3ALDH1A1DRD3
SCHEMBL17469027 0.77 MAOB (0.42) SLC6A2SLC6A4SLC6A3ALDH1A1DRD3
SCHEMBL17459359 0.76 CYP19A1 (0.34) SLC22A12SLC6A2SLC6A4SLC6A3ALDH1A1

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
WO-2016012333-A1 PESTICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2016-01-28 WO disclosed
WO-2016012333-A1 PESTICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2016-01-28 WO disclosed