SCHEMBL7928244

SCHEMBL7928244

CCCCNc1c(F)c2c(c(Nc3c(OCC)cccc3OCC)c1Nc1c(OCC)cccc1OCC)C(=O)c1c(O)ccc(O)c1C2=O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.35
EGFR P00533 1/20 0.35
PIM1 P11309 1/20 0.35
PTPN1 P18031 3/20 0.34
ELANE P08246 3/20 0.33
MEN1 O00255 2/20 0.33
RECQL P46063 2/20 0.33
KMT2A Q03164 2/20 0.33
KDM4E B2RXH2 1/20 0.33
L3MBTL1 Q9Y468 2/20 0.32
LMNA P02545 2/20 0.32
USP2 O75604 1/20 0.32
MAPK1 P28482 1/20 0.32
HTT P42858 1/20 0.32
ATM Q13315 1/20 0.32
KEAP1 Q14145 1/20 0.32
PLEC Q15149 1/20 0.32
NFE2L2 Q16236 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NPSR1 Q6W5P4 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
SCHEMBL7930025 0.96 CYP19A1 (0.34) CYP19A1EGFRPIM1ELANEMEN1
SCHEMBL7930651 0.89 EGFR (0.41) EGFRPIM1MEN1KMT2AUSP2
SCHEMBL7930689 0.86 P4HB (0.36) CYP19A1EGFRPIM1PTPN1ELANE
SCHEMBL7933048 0.86 TP53 (0.32) CYP19A1EGFRPIM1PTPN1MEN1
SCHEMBL7930589 0.85 EGFR (0.43) EGFRPIM1MEN1KMT2AL3MBTL1
SCHEMBL8393295 0.84 SOAT1 (0.38) CYP19A1SMN1; SMN2
SCHEMBL7933255 0.81 CYP19A1 (0.46) CYP19A1EGFRPIM1ELANEMEN1
SCHEMBL7921182 0.80 SOAT1 (0.41)
SCHEMBL7933104 0.79 EGFR (0.40) EGFRPIM1MEN1KMT2AKDM4E
SCHEMBL7927154 0.78 P4HB (0.39) EGFRPIM1ELANEMEN1RECQL

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