SCHEMBL19786609

SCHEMBL19786609

Brc1cccc(-c2ccc3c(ccc4oc5ccccc5c43)c2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRP O00591 4/20 0.49
GABRD O14764 4/20 0.49
GABRA1 P14867 4/20 0.49
GABRB1 P18505 4/20 0.49
GABRG2 P18507 4/20 0.49
GABRB3 P28472 4/20 0.49
GABRA5 P31644 4/20 0.49
GABRA3 P34903 4/20 0.49
GABRA2 P47869 4/20 0.49
GABRB2 P47870 4/20 0.49
GABRA4 P48169 4/20 0.49
GABRE P78334 4/20 0.49
GABRA6 Q16445 4/20 0.49
GABRG1 Q8N1C3 4/20 0.49
GABRG3 Q99928 4/20 0.49
GABRQ Q9UN88 4/20 0.49
MAOB P27338 2/20 0.47
MAOA P21397 1/20 0.47
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL10122752 0.89 MAOB (0.47) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL9106387 0.87 MAOB (0.48) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL18553508 0.85 TDP1 (0.47) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL20064149 0.82 PLA2G2A (0.43) TDP1L3MBTL1TP53SMN1; SMN2CASP3
SCHEMBL22062653 0.82 PLA2G2A (0.43) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL22880331 0.82 PLA2G2A (0.43) TDP1L3MBTL1TP53SMN1; SMN2CASP3
SCHEMBL20127343 0.82 PGR (0.43) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL16752108 0.82 GABRP (0.56) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL30449000 0.82 GABRP (0.56) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL29632081 0.82 GABRP (0.56) GABRPGABRDGABRA1GABRB1GABRG2

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
WO-2019177243-A1 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRONIC ELEMENT USING SAME, AND ELECTRONIC DEVICE THEREFOR 덕산네오룩스 주식회사 2019-09-19 WO disclosed
WO-2018012781-A1 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRONIC DEVICE USING SAME, AND ELECTRONIC DEVICE THEREOF 덕산네오룩스 주식회사 2018-01-18 WO disclosed