SCHEMBL14101264

SCHEMBL14101264

c1cc(COCCCOCc2ccncc2)ccn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 2/20 0.42
HRH3 Q9Y5N1 3/20 0.42
HRH4 Q9H3N8 2/20 0.42
CYP1A2 P05177 2/20 0.41
CYP3A4 P08684 2/20 0.41
CYP2D6 P10635 2/20 0.41
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 2/20 0.41
ALDH1A1 P00352 1/20 0.41
HSD17B10 Q99714 1/20 0.41
GBA1 P04062 1/20 0.39
UGCG Q16739 1/20 0.39
GBA2 Q9HCG7 1/20 0.39
HRH1 P35367 2/20 0.39
TSHR P16473 1/20 0.39
ABCB1 P08183 1/20 0.37
GRM5 P41594 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
HIF1A Q16665 1/20 0.35

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
SCHEMBL17132267 0.90 LOXL2 (0.46) LOXL2HRH3HRH4CYP1A2CYP3A4
SCHEMBL12743794 0.89 HRH1 (0.48) LOXL2HRH3HRH4CYP1A2CYP3A4
SCHEMBL12743775 0.87 HRH1 (0.52) LOXL2HRH3HRH4CYP1A2CYP3A4
SCHEMBL2569768 0.87 HRH1 (0.52) LOXL2HRH3HRH4CYP1A2CYP3A4
SCHEMBL8905967 0.86 HRH3 (0.39) LOXL2HRH3HRH4CYP1A2CYP3A4
SCHEMBL492258 0.85 TSHR (0.52) LOXL2CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL13610216 0.84 CYP3A4 (0.44) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
Butane SCHEMBL29206935 0.82 LMNA (0.43) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
Hydrochloric Acid SCHEMBL27794104 0.82 TSHR (0.50) LOXL2CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL10264180 0.82 CYP3A4 (0.41) LOXL2CYP1A2CYP3A4CYP2D6CYP2C9

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-20080163925-A1 DYE-SENSITIZED SOLAR CELL USING ION-BOUND OLIGOMER COMPLEX AND METHOD OF MANUFACTURING THE SAME SAMSUNG ELECTRONICS CO., LTD. (KR) 2008-07-10 US disclosed