SCHEMBL8318316

SCHEMBL8318316

COc1cc2ccc3nc4ccccc4cc3c2cc1OC

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 1/20 0.54
NQO2 P16083 2/20 0.53
KDM4E B2RXH2 3/20 0.51
ALDH1A1 P00352 3/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
PDE10A Q9Y233 4/20 0.48
HPGD P15428 3/20 0.47
LMNA P02545 2/20 0.47
PDGFRB P09619 1/20 0.47
PDGFRA P16234 1/20 0.47
NQO1 P15559 1/20 0.46
GLA P06280 3/20 0.45
POLB P06746 2/20 0.45
KMT2A Q03164 2/20 0.45
GAA P10253 1/20 0.45
PTBP1 P26599 1/20 0.45
RCE1 Q9Y256 1/20 0.45
ACACA Q13085 1/20 0.44

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 0.85 NQO2 (0.48) NQO2KDM4EALDH1A1SMN1; SMN2HPGD
SCHEMBL8324287 0.81 NQO2 (0.58) NQO2KDM4EALDH1A1SMN1; SMN2NPC1
SCHEMBL240664 0.80 NQO2 (0.57) TLR8NQO2KDM4EALDH1A1SMN1; SMN2
SCHEMBL9755341 0.79 POLB (0.55) TLR8NQO2KDM4EALDH1A1SMN1; SMN2
SCHEMBL4299906 0.78 ALDH1A1 (0.70) NQO2KDM4EALDH1A1SMN1; SMN2NPC1
Hydrochloric Acid SCHEMBL15271481 0.78 NQO2 (0.56) TLR8NQO2KDM4EALDH1A1SMN1; SMN2
SCHEMBL8418578 0.77 TLR8 (0.50) TLR8NQO2KDM4EALDH1A1SMN1; SMN2
SCHEMBL9040694 0.77 ALDH1A1 (0.60) NQO2KDM4EALDH1A1SMN1; SMN2HPGD
Hydrochloric Acid SCHEMBL32690198 0.77 NQO2 (0.54) TLR8NQO2KDM4EALDH1A1SMN1; SMN2
SCHEMBL27751211 0.76 ALDH1A1 (0.50) NQO2KDM4EALDH1A1SMN1; SMN2RAB9A

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