SCHEMBL9729264

SCHEMBL9729264

C=C[CH]c1ccc(Cl)cc1Cl

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.56
TSHR P16473 3/20 0.44
HSD17B10 Q99714 2/20 0.44
TP53 P04637 1/20 0.44
GRIN2D O15399 2/20 0.43
GRIN3B O60391 2/20 0.43
GRIN1 Q05586 2/20 0.43
GRIN2A Q12879 2/20 0.43
GRIN2B Q13224 2/20 0.43
GRIN2C Q14957 2/20 0.43
GRIN3A Q8TCU5 2/20 0.43
MAPT P10636 2/20 0.43
GABRA1 P14867 1/20 0.43
GABRG2 P18507 1/20 0.43
GABRB3 P28472 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
AMY1A P0DUB6 1/20 0.42
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 1/20 0.41
GAA P10253 1/20 0.41

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
SCHEMBL16955750 0.82 TP53 (0.44) TDP1TSHRHSD17B10TP53GRIN2D
SCHEMBL29376510 0.81 TDP1 (0.60) TDP1TSHRHSD17B10TP53GRIN2D
SCHEMBL109034 0.81 TDP1 (0.60) TDP1TSHRHSD17B10TP53GRIN2D
Hydrogen Sulfide SCHEMBL29194425 0.79 TDP1 (0.58) TDP1TSHRHSD17B10TP53GRIN2D
SCHEMBL7831326 0.76 TDP1 (0.60) TDP1TSHRHSD17B10TP53GRIN2D
SCHEMBL2097650 0.75 TDP1 (0.65) TDP1TSHRHSD17B10TP53GRIN2D
SCHEMBL1689790 0.74 TDP1 (0.58) TDP1TP53GRIN2DGRIN3BGRIN1
SCHEMBL1689789 0.74 TDP1 (0.58) TDP1TP53GRIN2DGRIN3BGRIN1
SCHEMBL6582916 0.74 CYP3A4 (0.43) TDP1TP53MAPTALDH1A1GAA
SCHEMBL8580636 0.73 TDP1 (0.62) TDP1TSHRHSD17B10TP53GRIN2D

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
US-5171354-A Herbicides CIBA-GEIGY CORPORATION (US) 1992-12-15 US disclosed