SCHEMBL7928398

SCHEMBL7928398

CCOc1cc(C#N)cc(OCC)c1N

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 1/20 0.49
MAPT P10636 6/20 0.42
MEN1 O00255 6/20 0.42
KMT2A Q03164 6/20 0.42
ALDH1A1 P00352 5/20 0.42
HSD17B10 Q99714 5/20 0.42
HPGD P15428 3/20 0.42
ALOX15 P16050 3/20 0.42
BRCA1 P38398 3/20 0.42
USP2 O75604 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
PRNP P04156 1/20 0.42
KDM4E B2RXH2 6/20 0.41
MAPK1 P28482 2/20 0.41
POLB P06746 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
HBB P68871 2/20 0.40
LMNA P02545 2/20 0.40
CYP1A2 P05177 2/20 0.40
CYP2C9 P11712 2/20 0.40

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
SCHEMBL7928268 0.86 ALDH1A1 (0.44) TRPV4MAPTMEN1KMT2AALDH1A1
SCHEMBL7928328 0.85 CYP1A2 (0.46) TRPV4MAPTMEN1KMT2AALDH1A1
SCHEMBL29633662 0.82 TRPV4 (0.40) TRPV4MAPTMEN1KMT2AALDH1A1
SCHEMBL523892 0.82 TRPV4 (0.50) TRPV4MEN1KMT2AALDH1A1HSD17B10
SCHEMBL7928393 0.80 TRPV4 (0.49) TRPV4MAPTMEN1KMT2AALDH1A1
SCHEMBL7930667 0.79 ALDH1A1 (0.46) ALDH1A1GAA
SCHEMBL31431229 0.79 MAPT (0.59) TRPV4MAPTMEN1KMT2AALDH1A1
SCHEMBL7927109 0.77 ALDH1A1 (0.47) MAPTMEN1KMT2AALDH1A1HSD17B10
SCHEMBL1402437 0.76 TRPV4 (0.61) TRPV4MAPTMEN1KMT2AALDH1A1
SCHEMBL14150626 0.76 TRPV4 (0.53) TRPV4MAPTMEN1KMT2AALDH1A1

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