SCHEMBL7927154

SCHEMBL7927154

CCCCCCCCSc1c(Nc2c(OCC)cccc2OCC)c(Nc2c(OCC)cccc2OCC)c(F)c2c1C(=O)c1c(O)ccc(O)c1C2=O

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
P4HB P07237 1/20 0.39
PTGS2 P35354 4/20 0.36
SOAT1 P35610 2/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
RECQL P46063 1/20 0.33
KMT2A Q03164 1/20 0.33
EGFR P00533 1/20 0.33
PIM1 P11309 1/20 0.33
ELANE P08246 5/20 0.32
CTSG P08311 2/20 0.32
EPHX2 P34913 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
SCHEMBL7930689 0.94 P4HB (0.36) P4HBPTGS2SOAT1KDM4EMEN1
SCHEMBL7921172 0.85 SOAT1 (0.40) P4HBSOAT1
SCHEMBL7930589 0.84 EGFR (0.43) PTGS2MEN1KMT2AEGFRPIM1
SCHEMBL7929922 0.81 TP53 (0.36) KDM4EEGFRPIM1
SCHEMBL7930651 0.81 EGFR (0.41) PTGS2MEN1KMT2AEGFRPIM1
SCHEMBL7930025 0.80 CYP19A1 (0.34) KDM4EMEN1RECQLKMT2AEGFR
SCHEMBL7930675 0.80 SOAT1 (0.37) P4HBSOAT1
SCHEMBL7933048 0.79 TP53 (0.32) MEN1RECQLKMT2AEGFRPIM1
SCHEMBL7933317 0.78 CNR1 (0.36) KDM4EMEN1RECQLKMT2AELANE
SCHEMBL7928244 0.78 CYP19A1 (0.35) KDM4EMEN1RECQLKMT2AEGFR

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