SCHEMBL19838166

SCHEMBL19838166

CCc1ccccc1-c1cccc2c1=c1ccccc1=2

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 4/20 0.40
GABRB2 P47870 4/20 0.40
CSNK2A2 P19784 1/20 0.40
CSNK2B P67870 1/20 0.40
CSNK2A1 P68400 1/20 0.40
CSNK2A3 Q8NEV1 1/20 0.40
CYP2D6 P10635 1/20 0.37
PDK2 Q15119 1/20 0.36
DHFR P00374 1/20 0.35
TRPA1 O75762 1/20 0.34
KCNN4 O15554 1/20 0.34
CRHBP P24387 1/20 0.33
CRHR2 Q13324 1/20 0.33
MGLL Q99685 1/20 0.33
PTPRC P08575 1/20 0.33
CDC25B P30305 1/20 0.33
LMNA P02545 1/20 0.33
CHEK1 O14757 1/20 0.33
WEE1 P30291 1/20 0.33

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
Naphthalene SCHEMBL27028568 0.94 CSNK2A2 (0.37) GABRA1GABRB2CSNK2A2CSNK2BCSNK2A1
SCHEMBL27792377 0.83 NPC1 (0.33) GABRA1GABRB2CSNK2A2CSNK2BCSNK2A1
SCHEMBL7006718 0.83 GABRA1 (0.46) GABRA1GABRB2CRHBPCRHR2MGLL
SCHEMBL10783900 0.83 GABRA1 (0.46) GABRA1GABRB2CRHBPCRHR2MGLL
SCHEMBL198461 0.80 CSNK2A2 (0.52) GABRA1GABRB2CSNK2A2CSNK2BCSNK2A1
SCHEMBL11382359 0.78 CSNK2A2 (0.50) GABRA1GABRB2CSNK2A2CSNK2BCSNK2A1
Ethane SCHEMBL3687850 0.78 CSNK2A2 (0.50) GABRA1GABRB2CSNK2A2CSNK2BCSNK2A1
SCHEMBL2776956 0.78 CSNK2A2 (0.50) GABRA1GABRB2CSNK2A2CSNK2BCSNK2A1
SCHEMBL28784922 0.76 PTPN1 (0.31) GABRA1GABRB2
SCHEMBL27771307 0.76 PTPN1 (0.31) GABRA1GABRB2

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
CN-105038619-B Adhesion promotor 罗门哈斯电子材料有限公司 2018-08-31 CN disclosed
WO-1997010193-A9 ETHYNYL SUBSTITUTED AROMATIC COMPOUNDS, SYNTHESIS, POLYMERS AND USES THEREOF THE DOW CHEMICAL COMPANY (US) 2018-02-08 WO disclosed