SCHEMBL7927093

SCHEMBL7927093

CCCCc1cc(C#N)cc(CCCC)c1[NH]

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.39
HSD17B10 Q99714 2/20 0.39
TYR P14679 1/20 0.35
DRD2 P14416 3/20 0.35
DRD3 P35462 3/20 0.35
EGFR P00533 1/20 0.34
ALDH1A1 P00352 2/20 0.33
MAPK1 P28482 1/20 0.33
CYP2A6 P11509 1/20 0.32
TTR P02766 1/20 0.32
ALB P02768 1/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
USP2 O75604 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
ALOX15 P16050 1/20 0.32
ALOX12 P18054 1/20 0.32
CASP1 P29466 1/20 0.32
BRCA1 P38398 1/20 0.32

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 0.88 MEN1 (0.36) TSHRHSD17B10ALDH1A1CYP2A6TTR
SCHEMBL7927098 0.81 TSHR (0.39) TSHRHSD17B10TYRDRD2DRD3
SCHEMBL7928478 0.79 CYP2A6 (0.41) ALDH1A1CYP2A6TTRALBMEN1
SCHEMBL10441821 0.74 TSHR (0.44) TSHRHSD17B10TYRDRD2DRD3
SCHEMBL10465908 0.73 TYR (0.47) TSHRHSD17B10TYRDRD2DRD3
SCHEMBL4767252 0.73 TSHR (0.42) TSHRHSD17B10TYRDRD2DRD3
SCHEMBL23287027 0.72 TYR (0.46) TSHRHSD17B10TYRDRD2DRD3
SCHEMBL7219002 0.72 ALDH1A1 (0.38) TSHRHSD17B10TYRDRD2DRD3
SCHEMBL29467123 0.71 TYR (0.39) TSHRHSD17B10TYREGFRALDH1A1
SCHEMBL7219740 0.71 NOS2 (0.46) TSHRHSD17B10ALDH1A1MAPK1

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