SCHEMBL8063025

SCHEMBL8063025

COC1(c2ccccc2N(C)C)C=C[CH]C=C1

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 1/20 0.33
GAA P10253 2/20 0.32
MAPT P10636 2/20 0.32
ALDH1A1 P00352 1/20 0.32
TP53 P04637 1/20 0.32
TSHR P16473 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CHEK1 O14757 1/20 0.31
NEK2 P51955 1/20 0.31
LIMK1 P53667 1/20 0.31
DYRK1A Q13627 1/20 0.31
CLK4 Q9HAZ1 1/20 0.31
KDM4E B2RXH2 1/20 0.31

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
SCHEMBL9590617 0.79
SCHEMBL8067212 0.79 PDK2 (0.31) PDK2GAAMAPTALDH1A1TP53
SCHEMBL8050679 0.67 PDK2 (0.30) PDK2
SCHEMBL3824691 0.65 TXNRD1 (0.38) GAAMAPTALDH1A1TP53TSHR
SCHEMBL7201520 0.62 PDK2 (0.35) PDK2GAAMAPTALDH1A1TP53
SCHEMBL6297394 0.62 PDK2 (0.35) PDK2GAAMAPTALDH1A1TP53
SCHEMBL65263 0.62 MAPT (0.55) PDK2GAAMAPTALDH1A1TP53
Hydrochloric Acid SCHEMBL6297220 0.61 PDK2 (0.34) PDK2GAAMAPTALDH1A1TP53
SCHEMBL5885185 0.61 CHEK1 (0.39) PDK2GAAMAPTALDH1A1TP53
Nitrogen SCHEMBL10985025 0.59 CA1 (0.52) ALDH1A1TP53TSHR

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
EP-0550161-B1 Single layer photoreceptor XEROX CORP (US) 2000-06-07 EP disclosed
US-5336577-A Single layer photoreceptor XEROX CORPORATION (US) 1994-08-09 US disclosed