SCHEMBL7928478

SCHEMBL7928478

CCc1cc(C#N)cc(CC)c1[NH]

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 2/20 0.41
TTR P02766 2/20 0.37
ALB P02768 2/20 0.37
VCAM1 P19320 2/20 0.34
EGLN2 Q96KS0 1/20 0.34
ABCC9 O60706 1/20 0.33
ABCC8 Q09428 1/20 0.33
KCNJ11 Q14654 1/20 0.33
KCNJ8 Q15842 1/20 0.33
PGR P06401 1/20 0.33
GPR35 Q9HC97 2/20 0.33
KCNH2 Q12809 1/20 0.33
AR P10275 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
ALDH1A1 P00352 3/20 0.32
MAPT P10636 2/20 0.32
POLB P06746 1/20 0.32
TRPV4 Q9HBA0 1/20 0.31
ELANE P08246 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
SCHEMBL7930484 0.83 MEN1 (0.36) CYP2A6TTRALBARMEN1
SCHEMBL2154258 0.81 CYP2A6 (0.44) CYP2A6TTRALBVCAM1EGLN2
SCHEMBL7927093 0.79 TSHR (0.39) CYP2A6TTRALBMEN1KMT2A
SCHEMBL2154515 0.79 CYP2A6 (0.43) CYP2A6TTRALBVCAM1EGLN2
SCHEMBL24017172 0.79 CYP2A6 (0.43) CYP2A6TTRALBVCAM1EGLN2
SCHEMBL2154144 0.77 CYP2A6 (0.41) CYP2A6TTRALBVCAM1EGLN2
SCHEMBL7928482 0.77 HTT (0.46) CYP2A6TTRALBVCAM1EGLN2
SCHEMBL2154472 0.77 CYP2A6 (0.41) CYP2A6TTRALBVCAM1EGLN2
SCHEMBL23018392 0.74 CYP2A6 (0.48) CYP2A6EGLN2ABCC9ABCC8KCNJ11
SCHEMBL13824727 0.73 CYP2A6 (0.52) CYP2A6EGLN2ABCC9ABCC8KCNJ11

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