SCHEMBL25977774

SCHEMBL25977774

C=[N+](C)c1ccccc1C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.50
TSHR P16473 5/20 0.45
ACHE P22303 2/20 0.45
ALDH1A1 P00352 6/20 0.37
MAPT P10636 1/20 0.37
HTT P42858 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
PKM P14618 1/20 0.36
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
CA7 P43166 2/20 0.36
CA9 Q16790 2/20 0.36
TDP1 Q9NUW8 2/20 0.35
CYP3A4 P08684 1/20 0.35
CYP1A2 P05177 2/20 0.33
CYP2A6 P11509 2/20 0.33
MAOA P21397 1/20 0.31
MAOB P27338 1/20 0.31
L3MBTL1 Q9Y468 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
SCHEMBL1755243 0.77 HSD17B10 (0.60) HSD17B10TSHRACHEALDH1A1MAPT
SCHEMBL13607136 0.73 HSD17B10 (0.45) HSD17B10TSHRACHEALDH1A1MAPT
SCHEMBL14115151 0.72 CYP3A4 (0.43) HSD17B10TSHRALDH1A1MAPTHTT
SCHEMBL9247778 0.69 TSHR (0.53) HSD17B10TSHRACHEALDH1A1MAPT
Silver SCHEMBL7630794 0.67 TSHR (0.50) HSD17B10TSHRACHEALDH1A1MAPT
Lithium Ion SCHEMBL7630172 0.67 TSHR (0.50) HSD17B10TSHRACHEALDH1A1MAPT
SCHEMBL26788 0.67 HSD17B10 (1.00) HSD17B10TSHRALDH1A1MAPTSMN1; SMN2
SCHEMBL11227424 0.67 HSD17B10 (0.60) HSD17B10TSHRACHEALDH1A1MAPT
SCHEMBL8008054 0.67 HSD17B10 (0.60) HSD17B10TSHRACHEALDH1A1MAPT
O-Xylene SCHEMBL9421590 0.66 TSHR (0.83) HSD17B10TSHRACHEALDH1A1MAPT

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
US-11912916-B2 Organic electroluminescent compound and organic electroluminescent device comprising the same ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) 2024-02-27 US disclosed
US-20230255110-A1 ORGANIC ELECTROLUMINESCENT COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME DUPONT SPECIALTY MATERIALS KOREA LTD. (KR) 2023-08-10 US disclosed