SCHEMBL7928262

SCHEMBL7928262

CCCOc1cc(C#N)cc(OCCC)c1[NH]

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 1/20 0.36
MPO P05164 1/20 0.36
ALDH1A1 P00352 4/20 0.36
KDM4E B2RXH2 3/20 0.36
HTT P42858 2/20 0.36
MAPT P10636 2/20 0.36
MEN1 O00255 1/20 0.36
USP2 O75604 1/20 0.36
TP53 P04637 1/20 0.36
POLB P06746 1/20 0.36
GAA P10253 1/20 0.36
CASP1 P29466 1/20 0.36
CASP7 P55210 1/20 0.36
KMT2A Q03164 1/20 0.36
ATM Q13315 1/20 0.36
HPGD P15428 4/20 0.34
CSNK2A1 P68400 2/20 0.33
TLR8 Q9NR97 1/20 0.32
CYP2A6 P11509 1/20 0.31
TTR P02766 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
SCHEMBL7928321 0.91 HPGD (0.39) TRPV4ALDH1A1KDM4EHTTGAA
SCHEMBL7928393 0.85 TRPV4 (0.49) TRPV4ALDH1A1KDM4EMAPTMEN1
SCHEMBL7928268 0.83 ALDH1A1 (0.44) TRPV4MPOALDH1A1KDM4EHTT
SCHEMBL7356606 0.76 AR (0.46) TRPV4MPOALDH1A1KDM4EHTT
SCHEMBL7930662 0.76 ALDH1A1 (0.39) ALDH1A1GAA
SCHEMBL7928328 0.74 CYP1A2 (0.46) TRPV4MPOALDH1A1KDM4EHTT
SCHEMBL7927104 0.74 AR (0.43) ALDH1A1KDM4EUSP2TTRALB
SCHEMBL523551 0.74 MPO (0.54) TRPV4MPOALDH1A1KDM4EMAPT
SCHEMBL5440161 0.74 AR (0.49) TRPV4MPOAR
SCHEMBL31432318 0.74 ALDH1A1 (0.47) TRPV4MPOALDH1A1KDM4EHTT

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