SCHEMBL21295883

SCHEMBL21295883

[c]1ccc(-c2ccc3coccc2-3)cc1

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CSNK2A1 P68400 1/20 0.34
IMPDH2 P12268 2/20 0.33
ESR1 P03372 1/20 0.31
PTGER2 P43116 1/20 0.30
LPL P06858 1/20 0.30
LIPG Q9Y5X9 1/20 0.30

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
SCHEMBL28570260 0.88 ESR1 (0.40) CSNK2A1IMPDH2ESR1PTGER2LPL
SCHEMBL196321 0.78 LPL (0.41) CSNK2A1IMPDH2LPLLIPG
SCHEMBL21295699 0.77 IMPDH2 (0.33) CSNK2A1IMPDH2
SCHEMBL27732351 0.72 CSNK2A1 (0.42) CSNK2A1IMPDH2LPLLIPG
SCHEMBL5766972 0.72 IMPDH2 (0.39) IMPDH2
SCHEMBL21295640 0.72 IMPDH2 (0.36) CSNK2A1IMPDH2
SCHEMBL27639583 0.69 APP (0.43)
SCHEMBL27851311 0.69 PTGS2 (0.43)
SCHEMBL28571976 0.68 ESR1 (0.34) ESR1
SCHEMBL7696358 0.67 IMPDH2 (0.38) CSNK2A1IMPDH2LPLLIPG

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-2020085319-A1 CYCLIC AZINE COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENTS, ELECTRON TRANSPORT MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENTS, AND ORGANIC ELECTROLUMINESCENT ELEMENT 東ソー株式会社 2020-04-30 WO disclosed
WO-2019163959-A1 CYCLIC AZINE COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCNET ELEMENT, AND ELECTRON-TRANSPORTING MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENT 東ソー株式会社 2019-08-29 WO disclosed