SCHEMBL7928393

SCHEMBL7928393

CCOc1cc(C#N)cc(OCC)c1[NH]

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 1/20 0.49
GRM5 P41594 1/20 0.40
GPR35 Q9HC97 1/20 0.36
MEN1 O00255 3/20 0.36
ALDH1A1 P00352 3/20 0.36
MAPT P10636 3/20 0.36
KMT2A Q03164 3/20 0.36
ALOX15 P16050 2/20 0.36
BRCA1 P38398 2/20 0.36
HSD17B10 Q99714 2/20 0.36
HPGD P15428 2/20 0.36
USP2 O75604 1/20 0.36
PRNP P04156 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
GABRG2 P18507 1/20 0.35
GABRB3 P28472 1/20 0.35
GABRA5 P31644 1/20 0.35
GABRA3 P34903 1/20 0.35
NQO1 P15559 1/20 0.34
PDE4A P27815 3/20 0.34

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
SCHEMBL7928262 0.85 TRPV4 (0.36) TRPV4MEN1ALDH1A1MAPTKMT2A
SCHEMBL7928321 0.83 HPGD (0.39) TRPV4ALDH1A1HPGDKDM4ECYP1A2
SCHEMBL523892 0.82 TRPV4 (0.50) TRPV4GRM5GPR35MEN1ALDH1A1
SCHEMBL7928398 0.80 TRPV4 (0.49) TRPV4GRM5GPR35MEN1ALDH1A1
SCHEMBL7930662 0.79 ALDH1A1 (0.39) ALDH1A1GAA
SCHEMBL7927104 0.77 AR (0.43) GPR35ALDH1A1USP2KDM4EAR
SCHEMBL1402437 0.76 TRPV4 (0.61) TRPV4GRM5MEN1ALDH1A1MAPT
SCHEMBL5418640 0.74 TRPV4 (0.59) TRPV4GRM5ALDH1A1GABRG2GABRB3
SCHEMBL22140277 0.73 TRPV4 (0.61) TRPV4GRM5MEN1ALDH1A1MAPT
SCHEMBL29710965 0.73 TRPV4 (0.43) TRPV4GRM5MEN1ALDH1A1MAPT

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