SCHEMBL8320612

SCHEMBL8320612

Oc1cc2cc3c(ccc4cc(O)c(O)cc43)nc2cc1O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 2/20 0.36
PDGFRB P09619 2/20 0.36
PDGFRA P16234 2/20 0.36
MYC P01106 1/20 0.35
MAX P61244 1/20 0.35
CCNA2 P20248 1/20 0.35
CDK2 P24941 1/20 0.35
HSD17B10 Q99714 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
ALOX15 P16050 1/20 0.33
CASP1 P29466 1/20 0.33
CASP7 P55210 1/20 0.33
TRPM4 Q8TD43 1/20 0.33
IGFBP3 P17936 5/20 0.33
IGFBP5 P24593 3/20 0.33
CDC42 P60953 2/20 0.33
RAC1 P63000 2/20 0.33
MAPT P10636 1/20 0.33

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
SCHEMBL107294 0.80 PTPN22 (0.38) EGFRPDGFRBPDGFRAMYCMAX
SCHEMBL9979779 0.75 EGFR (0.42) EGFRPDGFRBPDGFRAMYCMAX
SCHEMBL15119518 0.69 ALDH1A1 (0.56) HSD17B10CYP1A2TRPM4MAPTALDH1A1
SCHEMBL8317211 0.68 NQO2 (0.48) PDGFRBPDGFRAMAPTALDH1A1
SCHEMBL9979780 0.67 MAPT (0.46) EGFRPDGFRBPDGFRAMYCMAX
SCHEMBL9979789 0.66 EGFR (0.36) EGFRPDGFRBPDGFRAMYCMAX
SCHEMBL888299 0.66 ALDH1A1 (0.68) HSD17B10CYP1A2CYP2C9TRPM4MAPT
SCHEMBL13719103 0.64 ESR2 (0.51) MYCMAXHSD17B10CYP1A2CASP1
SCHEMBL7793886 0.64 CDC42 (0.55) HSD17B10CYP1A2CYP2D6CYP2C9ALOX15
SCHEMBL9319235 0.64 MGAM (0.55) HSD17B10ALOX15IGFBP3IGFBP5MAPT

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
US-5981541-A ACRIDINE DERIVATIVES; ANTICANCER AGENTS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 1999-11-09 US claimed
US-5981541-A ACRIDINE DERIVATIVES; ANTICANCER AGENTS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 1999-11-09 US disclosed
EP-0950054-A1 SUBSTITUTED HETEROCYCLES AS ANTI-TUMOR AGENTS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 1999-10-20 EP disclosed
WO-1998012181-A1 SUBSTITUTED HETEROCYCLES AS ANTI-TUMOR AGENTS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 1998-03-26 WO disclosed