SCHEMBL7822956

SCHEMBL7822956

COc1ccc(-c2cc3cc(OC)c(OC)cc3c(C)n2)cc1OC

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 7/20 0.83
▸ MAPT P10636 3/20 0.83
▸ MEN1 O00255 4/20 0.75
▸ KMT2A Q03164 4/20 0.75
▸ NPC1 O15118 4/20 0.75
▸ RAB9A P51151 4/20 0.75
▸ RAC1 P63000 4/20 0.74
▸ ALDH1A1 P00352 5/20 0.67
▸ GAA P10253 2/20 0.66
▸ POLB P06746 1/20 0.57
▸ HPGD P15428 2/20 0.55
▸ MAPK1 P28482 2/20 0.55
▸ HTT P42858 2/20 0.55
▸ HSD17B10 Q99714 2/20 0.55
▸ USP2 O75604 1/20 0.55
▸ TSHR P16473 1/20 0.55
▸ ATM Q13315 1/20 0.55
▸ ACACA Q13085 1/20 0.55
▸ SMN1; SMN2 Q16637 2/20 0.51
▸ L3MBTL1 Q9Y468 1/20 0.50

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
SCHEMBL3321436 0.88 RAC1 (0.84) KDM4EMAPTMEN1KMT2ANPC1
SCHEMBL3321880 0.87 KDM4E (0.80) KDM4EMAPTMEN1KMT2ANPC1
Hydrochloric Acid SCHEMBL3318470 0.87 RAC1 (0.85) KDM4EMAPTMEN1KMT2ANPC1
Hydrochloric Acid SCHEMBL3318463 0.86 KDM4E (0.78) KDM4EMAPTMEN1KMT2ANPC1
Hydrochloric Acid SCHEMBL3318461 0.86 KDM4E (0.78) KDM4EMAPTMEN1KMT2ANPC1
SCHEMBL3324961 0.86 KDM4E (1.00) KDM4EMAPTMEN1KMT2ANPC1
SCHEMBL13334166 0.85 RAC1 (1.00) KDM4EMAPTMEN1KMT2ANPC1
SCHEMBL3322189 0.85 KDM4E (0.70) KDM4EMAPTMEN1KMT2ANPC1
SCHEMBL3320461 0.85 RAC1 (1.00) KDM4EMAPTMEN1KMT2ANPC1
SCHEMBL3320163 0.84 KDM4E (0.76) KDM4EMAPTMEN1KMT2ANPC1

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
EP-0888346-B1 CORALYNE ANALOGS AS TOPOISOMERASE INHIBITORS UNIV RUTGERS (US) 2001-06-06 — — EP disclosed
EP-0888346-A1 CORALYNE ANALOGS AS TOPOISOMERASE INHIBITORS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 1999-01-07 — — EP disclosed
WO-1997029106-A1 CORALYNE ANALOGS AS TOPOISOMERASE INHIBITORS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 1997-08-14 — — WO disclosed
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