SCHEMBL20311709

SCHEMBL20311709

c1ccc(-n2c3ccc(-c4cc5c6ccccc6c6[nH]c7ccccc7c6c5c5ccccc45)cc3c3ccc4ccccc4c32)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.37
GABRP O00591 1/20 0.36
GABRD O14764 1/20 0.36
GABRA1 P14867 1/20 0.36
GABRB1 P18505 1/20 0.36
GABRG2 P18507 1/20 0.36
GABRB3 P28472 1/20 0.36
GABRA5 P31644 1/20 0.36
GABRA3 P34903 1/20 0.36
GABRA2 P47869 1/20 0.36
GABRB2 P47870 1/20 0.36
GABRA4 P48169 1/20 0.36
GABRE P78334 1/20 0.36
GABRA6 Q16445 1/20 0.36
GABRG1 Q8N1C3 1/20 0.36
GABRG3 Q99928 1/20 0.36
GABRQ Q9UN88 1/20 0.36
CDK4 P11802 7/20 0.35
CCND1 P24385 7/20 0.35
GSK3B P49841 2/20 0.35

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
SCHEMBL20311933 0.87 L3MBTL1 (0.41) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL23741321 0.83 KDM4E (0.37) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL21035263 0.81 KDM4E (0.38)
SCHEMBL19786531 0.80 GABRP (0.36) KIF11GABRPGABRDGABRA1GABRB1
SCHEMBL21432023 0.79 HTR2B (0.39) KIF11GABRPGABRDGABRA1GABRB1
SCHEMBL19203100 0.79 KIF11 (0.39) KIF11GABRPGABRDGABRA1GABRB1
SCHEMBL19213876 0.79 KIF11 (0.39) KIF11CDK4CCND1HTR2BHTR5A
SCHEMBL21190559 0.79 KDM4E (0.34)
SCHEMBL17445444 0.79 L3MBTL1 (0.39) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL31591281 0.78 L3MBTL1 (0.40)

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
EP-3339293-B1 COMPOUND AND ORGANIC ELECTRONIC DEVICE COMPRISING SAME LG CHEMICAL LTD (KR) 2021-08-11 EP disclosed
EP-3339293-A1 COMPOUND AND ORGANIC ELECTRONIC DEVICE COMPRISING SAME LG Chem, Ltd. (KR) 2018-06-27 EP disclosed