SCHEMBL9116428

SCHEMBL9116428

CCOC(=O)c1noc(C2CC2)c1C(=S)c1ccc(I)cc1C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.36
HTT P42858 1/20 0.36
HSP90AA1 P07900 1/20 0.35
MAPT P10636 4/20 0.34
LMNA P02545 3/20 0.34
HSD17B10 Q99714 2/20 0.34
TP53 P04637 1/20 0.34
TSHR P16473 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HCRTR2 O43614 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
USP2 O75604 1/20 0.33
KMT2A Q03164 1/20 0.33
GABRG2 P18507 2/20 0.32
GABRB3 P28472 2/20 0.32
GABRA5 P31644 2/20 0.32
GABRA1 P14867 1/20 0.32
GABRA3 P34903 1/20 0.32
GABRA2 P47869 1/20 0.32

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
SCHEMBL9116653 0.88 HTT (0.44) ALDH1A1HTTHSP90AA1MAPTLMNA
SCHEMBL9115748 0.81 TSHR (0.39) ALDH1A1HTTHSD17B10TP53TSHR
SCHEMBL9115009 0.80 ALDH1A1 (0.34) ALDH1A1HTTHSP90AA1MAPTLMNA
SCHEMBL8491141 0.80 HTT (0.38) ALDH1A1HTTHSP90AA1MAPTLMNA
SCHEMBL9114966 0.79 HSP90AA1 (0.35) ALDH1A1HTTHSP90AA1MAPTLMNA
SCHEMBL9116609 0.78 TSHR (0.34) ALDH1A1HTTHSP90AA1MAPTLMNA
SCHEMBL8491094 0.78 HTT (0.37) ALDH1A1HTTHSP90AA1MAPTLMNA
SCHEMBL9115336 0.78 TSHR (0.34) ALDH1A1HTTHSP90AA1MAPTLMNA
SCHEMBL8492509 0.78 HTT (0.37) ALDH1A1HTTHSP90AA1MAPTLMNA
SCHEMBL8490475 0.78 MEN1 (0.37) ALDH1A1HTTHSP90AA1MAPTLMNA

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
WO-1995022903-A1 NEW PESTICIDAL METHOD RHONE-POULENC AGROCHIMIE (FR) 1995-08-31 WO disclosed