SCHEMBL6653366

SCHEMBL6653366

C=Cc1cccc(NC(C)C)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.48
TP53 P04637 1/20 0.48
ALDH1A1 P00352 3/20 0.42
TSHR P16473 2/20 0.42
LMNA P02545 1/20 0.42
CYP3A4 P08684 1/20 0.42
THRB P10828 1/20 0.42
ALOX15 P16050 1/20 0.42
ALOX12 P18054 1/20 0.42
RECQL P46063 1/20 0.42
ATM Q13315 1/20 0.42
HSD17B10 Q99714 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
PTGS2 P35354 1/20 0.40
POLB P06746 2/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
LRRK2 Q5S007 1/20 0.37
KCNH3 Q9ULD8 3/20 0.34
HDAC8 Q9BY41 1/20 0.33

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
SCHEMBL9313156 0.79 TDP1 (0.67) TDP1ALDH1A1TSHRLMNACYP3A4
SCHEMBL7048754 0.78 TP53 (0.54) TDP1TP53ALDH1A1TSHRPTGS2
SCHEMBL6775721 0.77 TDP1 (0.44) TDP1ALDH1A1TSHRLMNACYP3A4
SCHEMBL13831593 0.75 TDP1 (0.50) TDP1TP53ALDH1A1TSHRLMNA
SCHEMBL5950789 0.74 ALDH1A1 (0.58) TP53ALDH1A1LMNAATMHSD17B10
SCHEMBL11335933 0.74 SMN1; SMN2 (0.56) TP53ALDH1A1TSHRLMNAALOX12
SCHEMBL7738343 0.74 TDP1 (0.54) TDP1ALDH1A1TSHRLMNACYP3A4
SCHEMBL9765849 0.74 TDP1 (0.48) TDP1TP53ALDH1A1TSHRLMNA
SCHEMBL7024378 0.73 TP53 (0.48) TDP1TP53ALDH1A1TSHRLMNA
Hydrochloric Acid SCHEMBL9789740 0.72 TDP1 (0.47) TDP1TP53ALDH1A1TSHRLMNA

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
US-20040144655-A1 Process for depositing strong adherend polymer coating onto an electrically conductive surface UNIVERSITE DE LIEGE (BE) 2004-07-29 US disclosed
EP-1425315-A2 PROCESS FOR DEPOSITING STRONG ADHEREND POLYMER COATING ONTO AN ELECTRICALLY CONDUCTIVE SURFACE University of Liege (BE) 2004-06-09 EP disclosed
WO-2002098926-A2 PROCESS FOR DEPOSITING STRONG ADHEREND POLYMER COATING ONTO AN ELECTRICALLY CONDUCTIVE SURFACE UNIVERSITE DE LIEGE (BE) 2002-12-12 WO disclosed