SCHEMBL8318079

SCHEMBL8318079

COc1cc2cc3ccc4cc(OC)c(OC)cc4c3nc2cc1OC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO2 P16083 2/20 0.44
PDGFRB P09619 9/20 0.43
PDGFRA P16234 9/20 0.43
KDM4E B2RXH2 3/20 0.42
ALDH1A1 P00352 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
SRC P12931 1/20 0.41
PDE3B Q13370 1/20 0.41
PDE3A Q14432 1/20 0.41
GLA P06280 1/20 0.41
GAA P10253 1/20 0.41
HPGD P15428 1/20 0.41
SLC2A1 P11166 1/20 0.40
WHR1 P49842 1/20 0.40
TUBB4A P04350 1/20 0.40
TUBB P07437 1/20 0.40
TUBA3C P0DPH7 1/20 0.40
TUBA1B P68363 1/20 0.40
TUBA4A P68366 1/20 0.40
TUBB4B P68371 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
SCHEMBL8317211 0.79 NQO2 (0.48) NQO2PDGFRBPDGFRAKDM4EALDH1A1
SCHEMBL8497903 0.78 MAOA (0.44) NQO2PDGFRBPDGFRAKDM4EPDE3B
SCHEMBL9755422 0.78 NQO2 (0.60) NQO2PDGFRBPDGFRAKDM4EALDH1A1
SCHEMBL6361695 0.76 NQO2 (0.42) NQO2PDGFRBPDGFRAKDM4EALDH1A1
SCHEMBL27751211 0.76 ALDH1A1 (0.50) NQO2KDM4EALDH1A1SMN1; SMN2PDE3B
SCHEMBL9755384 0.73 PDGFRB (0.50) NQO2PDGFRBPDGFRAKDM4EALDH1A1
SCHEMBL14983509 0.71 PDGFRB (0.58) NQO2PDGFRBPDGFRA
SCHEMBL12068383 0.71 KDM4E (0.50) NQO2PDGFRBPDGFRAKDM4EALDH1A1
SCHEMBL29029328 0.71 NQO2 (0.62) NQO2PDGFRBPDGFRAKDM4EALDH1A1
SCHEMBL3970707 0.69 PDGFRB (0.53) NQO2PDGFRBPDGFRAKDM4EALDH1A1

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 3 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 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