SCHEMBL29119809

SCHEMBL29119809

Cc1cccc(C)c1-c1cccc2c1[nH]c1ccccc12

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 4/20 0.70
PARP14 Q460N5 10/20 0.66
MAPT P10636 3/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
MAPK1 P28482 2/20 0.49
NPSR1 Q6W5P4 2/20 0.49
ALDH1A1 P00352 2/20 0.49
HSD17B10 Q99714 2/20 0.49
KDM4E B2RXH2 1/20 0.49
GABRP O00591 1/20 0.49
GABRD O14764 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
GABRA1 P14867 1/20 0.49
HPGD P15428 1/20 0.49
TSHR P16473 1/20 0.49
GABRB1 P18505 1/20 0.49
GABRG2 P18507 1/20 0.49

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
SCHEMBL32666064 0.93 KIF11 (0.65) KIF11PARP14MAPTMEN1KMT2A
SCHEMBL5810425 0.89 KIF11 (0.75) KIF11PARP14MAPTMEN1KMT2A
SCHEMBL24946388 0.89 KIF11 (0.60) KIF11PARP14MAPTMEN1KMT2A
SCHEMBL28371481 0.88 KIF11 (0.59) KIF11PARP14MAPTMEN1KMT2A
SCHEMBL29048485 0.84 KIF11 (0.68) KIF11PARP14MAPTMEN1KMT2A
SCHEMBL15458121 0.84 KIF11 (0.62) KIF11PARP14MAPTMEN1KMT2A
SCHEMBL38651273 0.83 KIF11 (0.55) KIF11PARP14ALDH1A1HSD17B10GABRP
SCHEMBL27915 0.83 KIF11 (1.00) KIF11PARP14MAPTMEN1KMT2A
SCHEMBL29412284 0.83 KIF11 (1.00) KIF11PARP14MAPTMEN1KMT2A
SCHEMBL29733506 0.82 KIF11 (0.63) KIF11PARP14ALDH1A1HSD17B10GABRP

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-117242081-A Organic molecules for optoelectronic devices 三星显示有限公司 2023-12-15 CN disclosed
CN-117203213-A Organic molecules for optoelectronic devices 三星显示有限公司 2023-12-08 CN disclosed