SCHEMBL28575562

SCHEMBL28575562

[c]1ccccc1-c1cc(-c2ccccc2)ccn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ASIC3 Q9UHC3 1/20 0.41
PLAU P00749 1/20 0.39
NOTUM Q6P988 1/20 0.38
SMO Q99835 2/20 0.37
PIM1 P11309 1/20 0.37
PIK3CA P42336 1/20 0.36
TGFBR1 P36897 1/20 0.36
ALK Q9UM73 2/20 0.36
CYP19A1 P11511 1/20 0.35
FDPS P14324 1/20 0.35
EGFR P00533 1/20 0.35
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
GABRA1 P14867 1/20 0.34
GABRG2 P18507 1/20 0.34
GABRB3 P28472 1/20 0.34
GABRA5 P31644 1/20 0.34
GABRA3 P34903 1/20 0.34

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
SCHEMBL28917951 0.86 ASIC3 (0.49) ASIC3SMOPIM1TGFBR1GABRA1
SCHEMBL417290 0.79 ASIC3 (0.54) ASIC3PLAUNOTUMSMOPIM1
SCHEMBL28682715 0.77 ASIC3 (0.55) ASIC3CYP1A2
SCHEMBL8503514 0.77 CCR1 (0.55) CYP1A2CYP2C9CYP2C19
SCHEMBL714570 0.77 ASIC3 (0.50) ASIC3SMOCYP1A2CYP2C9CYP2C19
SCHEMBL912763 0.77 ASIC3 (0.63) ASIC3PLAUNOTUMSMOPIM1
SCHEMBL4858632 0.77 ASIC3 (0.52) ASIC3PLAUNOTUMSMOPIM1
SCHEMBL29578028 0.77 ASIC3 (0.63) ASIC3PLAUNOTUMSMOPIM1
Hydrochloric Acid SCHEMBL4868804 0.77 ASIC3 (0.52) ASIC3PLAUNOTUMSMOPIM1
Hydrochloric Acid SCHEMBL5171214 0.77 ASIC3 (0.52) ASIC3PLAUNOTUMSMOPIM1

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-109311844-B Triazine compound, method for producing same, and organic electroluminescent element containing same as constituent component 东曹株式会社 2021-07-20 CN disclosed
CN-112956045-A Organic light emitting device 诺瓦尔德股份有限公司 2021-06-11 CN disclosed