SCHEMBL7929922

SCHEMBL7929922

CCOc1cccc(OCC)c1Nc1c(F)c2c(c(Sc3ccccc3)c1Nc1c(OCC)cccc1OCC)C(=O)c1c(O)ccc(O)c1C2=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.36
TSHR P16473 1/20 0.35
MAPT P10636 3/20 0.35
EGFR P00533 1/20 0.34
PIM1 P11309 1/20 0.34
CA12 O43570 2/20 0.33
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
LMNA P02545 2/20 0.33
NPSR1 Q6W5P4 1/20 0.33
CA7 P43166 1/20 0.33
CA13 Q8N1Q1 1/20 0.33
POLB P06746 1/20 0.33
GAA P10253 3/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
MAPK1 P28482 2/20 0.32
GLA P06280 1/20 0.32
CA9 Q16790 1/20 0.32
KDM4E B2RXH2 1/20 0.32
GRIN1 Q05586 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
SCHEMBL7933048 0.91 TP53 (0.32) TP53TSHRMAPTEGFRPIM1
SCHEMBL7930589 0.87 EGFR (0.43) TP53TSHRMAPTEGFRPIM1
SCHEMBL7930651 0.84 EGFR (0.41) TP53TSHRMAPTEGFRPIM1
SCHEMBL7927154 0.81 P4HB (0.39) EGFRPIM1KDM4E
SCHEMBL7933104 0.80 EGFR (0.40) MAPTEGFRPIM1CA12CA1
SCHEMBL7930689 0.76 P4HB (0.36) EGFRPIM1KDM4E
SCHEMBL7928244 0.74 CYP19A1 (0.35) TSHREGFRPIM1LMNANPSR1
SCHEMBL8676439 0.73 CA12 (0.49) TP53TSHRMAPTEGFRPIM1
SCHEMBL7921192 0.73 CA12 (0.37) MAPTCA12CA1CA2CA7
SCHEMBL7930025 0.73 CYP19A1 (0.34) TSHREGFRPIM1LMNAKDM4E

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