SCHEMBL7060856

SCHEMBL7060856

Cc1cc(N(C)C)ccc1C1=CC(c2ccc(N(C)C)cc2C)=C1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.44
ALDH1A1 P00352 9/20 0.42
TSHR P16473 5/20 0.42
ALOX15 P16050 2/20 0.42
HSD17B10 Q99714 2/20 0.42
TERT O14746 1/20 0.39
APP P05067 1/20 0.39
APAF1 O14727 1/20 0.37
CRHR1 P34998 1/20 0.37
CYP3A4 P08684 3/20 0.34
TDP1 Q9NUW8 3/20 0.34
MAPK1 P28482 2/20 0.34
TP53 P04637 1/20 0.34
KDM4E B2RXH2 2/20 0.34
PSMB5 P28074 2/20 0.34
PDK2 Q15119 1/20 0.34
HPGD P15428 1/20 0.34
HIF1A Q16665 1/20 0.34
AXL P30530 1/20 0.32
FLT3 P36888 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
SCHEMBL10703098 0.91 ALDH1A1 (0.39) MAPTALDH1A1TSHRALOX15HSD17B10
SCHEMBL10704257 0.89 MAPT (0.38) MAPTALDH1A1TSHRALOX15HSD17B10
SCHEMBL10706838 0.89 MAPT (0.38) MAPTALDH1A1TSHRALOX15HSD17B10
SCHEMBL30966777 0.86 ALDH1A1 (0.50) MAPTALDH1A1TSHRALOX15HSD17B10
SCHEMBL13990194 0.86 ALDH1A1 (0.50) MAPTALDH1A1TSHRALOX15HSD17B10
SCHEMBL10705851 0.78 ALDH1A1 (0.48) MAPTALDH1A1TSHRALOX15HSD17B10
SCHEMBL9750141 0.77 PDK2 (0.44) MAPTALDH1A1TSHRALOX15HSD17B10
SCHEMBL16491626 0.75 ESR2 (0.55) MAPTALDH1A1TSHRALOX15HSD17B10
SCHEMBL61554 0.75 MAPT (0.42) MAPTALDH1A1TSHRALOX15HSD17B10
SCHEMBL11865676 0.75 ALDH1A1 (0.52) MAPTALDH1A1TSHRALOX15HSD17B10

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
EP-1339800-A1 SQUARAINE BASED DYES AND PROCESS FOR PREPARATION THEREOF Council of Scientific and Industrial Research (IN) 2003-09-03 EP disclosed
WO-2003035768-A1 SQUARAINE BASED DYES AND PROCESS FOR PREPARATION THEREOF COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2003-05-01 WO disclosed
EP-0146301-B1 PROCESS FOR SYNTHESIZING SQUARAINE COMPOSITIONS XEROX CORPORATION (US) 1988-07-13 EP disclosed