SCHEMBL7927291

SCHEMBL7927291

CC(C)Cc1cc(C#N)cc(CC(C)C)c1[NH]

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TTR P02766 1/20 0.33
ALB P02768 1/20 0.33
GABRA1 P14867 2/20 0.32
GABRB2 P47870 2/20 0.32
ABCC9 O60706 1/20 0.31
ABCC8 Q09428 1/20 0.31
KCNJ11 Q14654 1/20 0.31
KCNJ8 Q15842 1/20 0.31
GRIN1 Q05586 1/20 0.31
GLA P06280 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
SCHEMBL23961079 0.82 TTR (0.34) TTRALBGABRA1GABRB2GRIN1
SCHEMBL7927295 0.80 TTR (0.33) TTRALBGABRA1GABRB2GRIN1
SCHEMBL7928478 0.77 CYP2A6 (0.41) TTRALBABCC9ABCC8KCNJ11
SCHEMBL19269070 0.74 MEN1 (0.33) TTRALB
SCHEMBL7930484 0.73 MEN1 (0.36) TTRALBGLA
SCHEMBL14498203 0.73 CYP2A6 (0.39) GABRA1GABRB2ABCC9ABCC8KCNJ11
SCHEMBL26635477 0.72 GLA (0.40) TTRALBGABRA1GABRB2GLA
SCHEMBL30892597 0.72 GLA (0.40) TTRALBGABRA1GABRB2GLA
SCHEMBL14485255 0.72 ABCC9 (0.35) GABRA1GABRB2ABCC9ABCC8KCNJ11
SCHEMBL21647261 0.72 SLC6A2 (0.38) GABRA1GABRB2ABCC9ABCC8KCNJ11

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0661350-B1 Quinizarin compound, method for production thereof, and use therefor NIPPON CATALYTIC CHEM IND (JP) 2001-08-22 EP disclosed
US-5817843-A Quinizarin compound, method for production thereof, and use therefor NIPPON SHOKUBAI CO., LTD. (JP) 1998-10-06 US disclosed
US-5608091-A SHEETS FOR HEAT EXCHANGING AND OPTICAL RECORDING MATERIAL NIPPON SHOKUBAI CO., LTD. (JP) 1997-03-04 US disclosed
EP-0661350-A1 Quinizarin compound, method for production thereof, and use therefor NIPPON SHOKUBAI CO., LTD. (JP) 1995-07-05 EP disclosed