SCHEMBL25397447

SCHEMBL25397447

[c]1cc(-c2cccc3c2[nH]c2ccccc23)cc2c1[nH]c1ccccc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 4/20 0.42
PARP14 Q460N5 10/20 0.41
TDO2 P48775 3/20 0.40
IDO1 P14902 1/20 0.40
BCHE P06276 1/20 0.40
GABRP O00591 1/20 0.38
GABRD O14764 1/20 0.38
GABRA1 P14867 1/20 0.38
GABRB1 P18505 1/20 0.38
GABRG2 P18507 1/20 0.38
GABRB3 P28472 1/20 0.38
GABRA5 P31644 1/20 0.38
GABRA3 P34903 1/20 0.38
GABRA2 P47869 1/20 0.38
GABRB2 P47870 1/20 0.38
GABRA4 P48169 1/20 0.38
GABRE P78334 1/20 0.38
GABRA6 Q16445 1/20 0.38
GABRG1 Q8N1C3 1/20 0.38
GABRG3 Q99928 1/20 0.38

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
SCHEMBL698660 0.84 ALDH1A1 (0.48) KIF11
SCHEMBL1003958 0.83 HSD17B10 (0.43) KIF11TDO2IDO1HTR2BHTR5A
SCHEMBL14471703 0.81 KIF11 (0.47) KIF11PARP14TDO2BCHEGABRP
SCHEMBL29935623 0.79 KIF11 (0.55) KIF11PARP14TDO2BCHEGABRP
SCHEMBL415890 0.79 KIF11 (0.55) KIF11PARP14TDO2BCHEGABRP
SCHEMBL29394785 0.77 KIF11 (0.53) KIF11PARP14TDO2IDO1BCHE
SCHEMBL6069280 0.77 KIF11 (0.53) KIF11PARP14TDO2BCHEGABRP
SCHEMBL187300 0.77 KIF11 (0.53) KIF11PARP14TDO2IDO1BCHE
SCHEMBL38828 0.77 KIF11 (0.57) KIF11PARP14TDO2BCHEGABRP
SCHEMBL1326376 0.77 KIF11 (0.57) KIF11PARP14TDO2BCHEGABRP

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-20230295490-A1 LIGHT-EMITTING NANOPARTICLES AND LIGHT-EMITTING LABELING MATERIAL FOR PATHOLOGICAL DIAGNOSIS Konica Minolta, Inc. (JP) 2023-09-21 US disclosed