SCHEMBL7928328

SCHEMBL7928328

CCCCOc1cc(C#N)cc(OCCCC)c1N

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
TLR8 Q9NR97 2/20 0.41
KDM4E B2RXH2 5/20 0.40
HPGD P15428 4/20 0.40
ALDH1A1 P00352 4/20 0.40
HTT P42858 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MAPT P10636 2/20 0.40
MAPK8 P45983 1/20 0.38
MAPK9 P45984 1/20 0.38
MCHR1 Q99705 1/20 0.37
CYP11B1 P15538 1/20 0.37
CYP11B2 P19099 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
GLA P06280 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TRPV4 Q9HBA0 1/20 0.36

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 0.91 ALDH1A1 (0.44) CYP1A2CYP2C9CYP2C19TLR8KDM4E
SCHEMBL7928398 0.85 TRPV4 (0.49) CYP1A2CYP2C9CYP2C19KDM4EHPGD
SCHEMBL7928321 0.84 HPGD (0.39) CYP1A2CYP2C9CYP2C19TLR8KDM4E
SCHEMBL31431651 0.83 CYP1A2 (0.53) CYP1A2CYP2C9CYP2C19TLR8KDM4E
SCHEMBL23031756 0.80 KDM4E (0.47) CYP1A2CYP2C9CYP2C19KDM4EHPGD
SCHEMBL5005951 0.79 ALDH1A1 (0.48) TLR8KDM4EHPGDALDH1A1HTT
SCHEMBL7930667 0.76 ALDH1A1 (0.46) TLR8ALDH1A1MAPK8GAA
SCHEMBL19141233 0.76 CYP1A2 (0.52) CYP1A2CYP2C9CYP2C19TLR8KDM4E
SCHEMBL2163665 0.76 AR (0.55) KDM4EHPGDALDH1A1HTTL3MBTL1
SCHEMBL9977584 0.76 AR (0.51) KDM4EHPGDALDH1A1HTTL3MBTL1

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