SCHEMBL7929935

SCHEMBL7929935

CC(C)c1cc(C#N)cc(C(C)C)c1[NH]

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TTR P02766 2/20 0.37
ALB P02768 2/20 0.37
GABRA1 P14867 1/20 0.32
GABRB1 P18505 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
ALDH1A1 P00352 1/20 0.31
CYP2A6 P11509 1/20 0.31
VCAM1 P19320 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 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
SCHEMBL2154261 0.81 TTR (0.39) TTRALBGABRA1GABRB1MEN1
SCHEMBL19505731 0.79 TTR (0.38) TTRALBGABRA1GABRB1MEN1
SCHEMBL22899690 0.79 TTR (0.38) TTRALBGABRA1GABRB1MEN1
SCHEMBL2155740 0.79 TTR (0.38) TTRALBGABRA1GABRB1MEN1
SCHEMBL7929939 0.77 TTR (0.37) TTRALBGABRA1GABRB1MEN1
SCHEMBL22030026 0.77 GABRA1 (0.58) TTRALBGABRA1GABRB1MEN1
SCHEMBL22905456 0.77 TTR (0.37) TTRALBGABRA1GABRB1MEN1
SCHEMBL28248423 0.77 TTR (0.37) TTRALBGABRA1GABRB1MEN1
SCHEMBL19507327 0.77 TTR (0.41) TTRALBGABRA1GABRB1MEN1
SCHEMBL2154038 0.76 TTR (0.35) TTRALBGABRA1GABRB1MEN1

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 6 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-5968688-A RESINS AND DYES FOR COLOR FILTERS NIPPON SHOKUBAI CO., LTD. (JP) 1999-10-19 US disclosed
US-5817843-A Quinizarin compound, method for production thereof, and use therefor NIPPON SHOKUBAI CO., LTD. (JP) 1998-10-06 US disclosed
EP-0833203-A1 Color filter grade photosensitive resin coloring composition, and color filter using the same NIPPON SHOKUBAI CO., LTD. (JP) 1998-04-01 EP 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