SCHEMBL29258302

SCHEMBL29258302

[c]1cccc(Nc2ccc(-c3ccccc3)cc2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.50
HSD17B10 Q99714 5/20 0.50
ALOX12 P18054 4/20 0.50
L3MBTL1 Q9Y468 4/20 0.50
TSHR P16473 3/20 0.50
TDP1 Q9NUW8 3/20 0.50
ALOX15 P16050 2/20 0.50
PTGS1 P23219 1/20 0.50
SLC6A2 P23975 1/20 0.50
MAPK1 P28482 1/20 0.50
PTGS2 P35354 1/20 0.50
HTR2B P41595 1/20 0.50
CYP3A4 P08684 4/20 0.42
MAPT P10636 4/20 0.42
HPGD P15428 3/20 0.42
HTT P42858 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
MEN1 O00255 2/20 0.40

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
SCHEMBL226139 0.90 HSD17B10 (0.57) ALDH1A1HSD17B10ALOX12L3MBTL1TSHR
SCHEMBL7090460 0.83 HSD17B10 (0.43) ALDH1A1HSD17B10ALOX12L3MBTL1TSHR
SCHEMBL20445899 0.81 ALDH1A1 (0.77) ALDH1A1HSD17B10ALOX12L3MBTL1TSHR
SCHEMBL14160282 0.81 ALDH1A1 (0.77) ALDH1A1HSD17B10ALOX12L3MBTL1TSHR
SCHEMBL14160278 0.81 ALDH1A1 (0.77) ALDH1A1HSD17B10ALOX12L3MBTL1TSHR
SCHEMBL14160281 0.81 ALDH1A1 (0.77) ALDH1A1HSD17B10ALOX12L3MBTL1TSHR
SCHEMBL12367618 0.81 ALDH1A1 (0.77) ALDH1A1HSD17B10ALOX12L3MBTL1TSHR
SCHEMBL10079561 0.81 ALDH1A1 (0.77) ALDH1A1HSD17B10ALOX12L3MBTL1TSHR
SCHEMBL431535 0.81 ALDH1A1 (0.77) ALDH1A1HSD17B10ALOX12L3MBTL1TSHR
SCHEMBL11961725 0.81 ALDH1A1 (0.77) ALDH1A1HSD17B10ALOX12L3MBTL1TSHR

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
CN-118344695-A Hydroxyl-enriched cycloolefin copolymer long afterglow material and application thereof 重庆理工大学 2024-07-16 CN claimed
CN-118344695-A Hydroxyl-enriched cycloolefin copolymer long afterglow material and application thereof 重庆理工大学 2024-07-16 CN disclosed