SCHEMBL20650352

SCHEMBL20650352

Fc1cccc2c1oc1c(N(I)c3ccc(C4CCCCC4)cc3)cccc12

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRP O00591 1/20 0.33
GABRD O14764 1/20 0.33
GABRA1 P14867 1/20 0.33
GABRB1 P18505 1/20 0.33
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 0.33
GABRA5 P31644 1/20 0.33
GABRA3 P34903 1/20 0.33
GABRA2 P47869 1/20 0.33
GABRB2 P47870 1/20 0.33
GABRA4 P48169 1/20 0.33
GABRE P78334 1/20 0.33
GABRA6 Q16445 1/20 0.33
GABRG1 Q8N1C3 1/20 0.33
GABRG3 Q99928 1/20 0.33
GABRQ Q9UN88 1/20 0.33
DGAT1 O75907 1/20 0.32
LMNA P02545 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL20650294 0.86 S1PR1 (0.35) LMNAKMT2ASMN1; SMN2
SCHEMBL21020567 0.86 KMT2A (0.35) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL20650706 0.85 USP1 (0.35) LMNAKMT2ASMN1; SMN2
SCHEMBL20650770 0.84 KMT2A (0.32) LMNAKMT2ASMN1; SMN2
SCHEMBL20650724 0.83 CEL (0.34) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL20650253 0.83 KMT2A (0.35) LMNAKMT2ASMN1; SMN2
SCHEMBL20650809 0.81 CEL (0.33)
SCHEMBL20650719 0.79 NPC1 (0.33)
SCHEMBL20650313 0.79 TYK2 (0.30) TYK2
SCHEMBL20650727 0.78 NPC1 (0.32)

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-3428152-B1 COMPOUND AND ORGANIC ELECTRONIC ELEMENT COMPRISING SAME LG CHEMICAL LTD (KR) 2021-11-03 EP disclosed
EP-3428152-A1 COMPOUND AND ORGANIC ELECTRONIC ELEMENT COMPRISING SAME LG Chem, Ltd. (KR) 2019-01-16 EP disclosed