SCHEMBL19683569

SCHEMBL19683569

Brc1ccc(-c2cc3c(ccc4ccc(Br)cc43)o2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRP O00591 10/20 0.55
GABRD O14764 10/20 0.55
GABRA1 P14867 10/20 0.55
GABRB1 P18505 10/20 0.55
GABRG2 P18507 10/20 0.55
GABRB3 P28472 10/20 0.55
GABRA5 P31644 10/20 0.55
GABRA3 P34903 10/20 0.55
GABRA2 P47869 10/20 0.55
GABRB2 P47870 10/20 0.55
GABRA4 P48169 10/20 0.55
GABRE P78334 10/20 0.55
GABRA6 Q16445 10/20 0.55
GABRG1 Q8N1C3 10/20 0.55
GABRG3 Q99928 10/20 0.55
GABRQ Q9UN88 10/20 0.55
MAOB P27338 3/20 0.53
TNKS O95271 1/20 0.51
TP53 P04637 1/20 0.44
CYP3A4 P08684 1/20 0.44

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
SCHEMBL11643881 0.87 MAOB (0.63) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL19683570 0.87 GABRP (0.47) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL28031958 0.79 GABRP (0.61) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL10173044 0.78 MAOB (0.74) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL19683526 0.78 MAOB (0.51) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL16773307 0.77 KDM4E (0.46) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL258689 0.74 PIM1 (0.55) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL11647524 0.74 MAOB (0.65) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL1569370 0.72 CYP2A6 (0.52) MAPTPIM1
SCHEMBL29595200 0.72 CYP2A6 (0.52) MAPTPIM1

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-2017210072-A1 ELECTROACTIVE COMPOUNDS E. I. DU PONT DE NEMOURS AND COMPANY (US) 2017-12-07 WO disclosed