SCHEMBL23728995

SCHEMBL23728995

Ic1c2ccccc2cc2c1[nH]c1ccccc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 5/20 0.52
ALDH1A1 P00352 5/20 0.46
HSD17B10 Q99714 5/20 0.46
GPR3 P46089 2/20 0.46
AHR P35869 2/20 0.45
CLK1 P49759 1/20 0.45
DYRK1A Q13627 1/20 0.45
GABRP O00591 2/20 0.42
GABRD O14764 2/20 0.42
GABRA1 P14867 2/20 0.42
GABRB1 P18505 2/20 0.42
GABRG2 P18507 2/20 0.42
GABRB3 P28472 2/20 0.42
GABRA5 P31644 2/20 0.42
GABRA3 P34903 2/20 0.42
GABRA2 P47869 2/20 0.42
GABRB2 P47870 2/20 0.42
GABRA4 P48169 2/20 0.42
GABRE P78334 2/20 0.42
GABRA6 Q16445 2/20 0.42

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
SCHEMBL20200687 0.79 ESR1 (0.50) KIF11ALDH1A1HSD17B10GPR3AHR
SCHEMBL21448308 0.78 KIF11 (0.52) KIF11ALDH1A1HSD17B10GPR3AHR
SCHEMBL20185555 0.78 KIF11 (0.52) KIF11ALDH1A1HSD17B10GPR3AHR
SCHEMBL20160606 0.78 APP (0.55) KIF11ALDH1A1HSD17B10GPR3AHR
SCHEMBL30180889 0.78 KIF11 (0.52) KIF11ALDH1A1HSD17B10GPR3AHR
SCHEMBL20808607 0.76 MEN1 (0.59) KIF11ALDH1A1HSD17B10GPR3AHR
SCHEMBL20200673 0.74 KIF11 (0.47) KIF11ALDH1A1HSD17B10GPR3AHR
SCHEMBL16051748 0.74 HTR2C (0.50) KIF11ALDH1A1HSD17B10KMT2AMAPT
SCHEMBL11152059 0.73 KIF11 (0.55) KIF11ALDH1A1HSD17B10GPR3AHR
SCHEMBL4614746 0.73 KIF11 (0.55) KIF11ALDH1A1HSD17B10GPR3AHR

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
WO-2021153931-A1 COMPOUND FOR ORGANIC ELECTRIC ELEMENT, ORGANIC ELECTRIC ELEMENT USING SAME, AND ELECTRONIC DEVICE THEREOF 덕산네오룩스 주식회사 2021-08-05 WO disclosed