SCHEMBL8317211

SCHEMBL8317211

COc1cc2cc3c(ccc4cc(OC)c(OC)cc43)nc2cc1OC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO2 P16083 1/20 0.48
PDGFRB P09619 9/20 0.45
PDGFRA P16234 9/20 0.45
SRC P12931 1/20 0.44
WHR1 P49842 1/20 0.43
ALDH1A1 P00352 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
KDM4E B2RXH2 3/20 0.42
GLA P06280 2/20 0.41
GAA P10253 2/20 0.41
MAPT P10636 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
HPGD P15428 2/20 0.41
PDE3B Q13370 1/20 0.41
PDE3A Q14432 1/20 0.41
SLC2A1 P11166 1/20 0.40
LMNA P02545 1/20 0.40
TUBB4A P04350 1/20 0.40
TUBB P07437 1/20 0.40
TUBA3C P0DPH7 1/20 0.40

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
SCHEMBL8324287 0.85 NQO2 (0.58) NQO2PDGFRBPDGFRAWHR1ALDH1A1
SCHEMBL8318316 0.85 TLR8 (0.54) NQO2PDGFRBPDGFRAALDH1A1SMN1; SMN2
SCHEMBL8320381 0.84 NQO2 (0.45) NQO2PDGFRBPDGFRASRCALDH1A1
SCHEMBL8498365 0.84 TDP1 (0.44) ALDH1A1SMN1; SMN2KDM4EMAPTHPGD
SCHEMBL27751211 0.80 ALDH1A1 (0.50) NQO2ALDH1A1SMN1; SMN2KDM4EGAA
SCHEMBL8318079 0.79 NQO2 (0.44) NQO2PDGFRBPDGFRASRCWHR1
SCHEMBL9755422 0.78 NQO2 (0.60) NQO2PDGFRBPDGFRASRCALDH1A1
SCHEMBL14906876 0.78 MAOA (0.38) NQO2PDGFRBPDGFRASRCWHR1
SCHEMBL12074846 0.77 NQO2 (0.40) NQO2PDGFRBPDGFRASRCALDH1A1
SCHEMBL6616005 0.76 PDPK1 (0.51) PDGFRBPDGFRAALDH1A1SMN1; SMN2GLA

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