SCHEMBL9522585

SCHEMBL9522585

COc1cccc(C=CC(=O)Oc2ccc([N+](=O)[O-])cc2)c1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.65
ALDH1A1 P00352 2/20 0.65
LMNA P02545 1/20 0.65
KMT2A Q03164 3/20 0.62
MEN1 O00255 2/20 0.62
GAA P10253 2/20 0.62
KDM4E B2RXH2 1/20 0.62
NPC1 O15118 1/20 0.60
RAB9A P51151 1/20 0.60
TDP1 Q9NUW8 1/20 0.60
TRPV1 Q8NER1 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
FBP1 P09467 1/20 0.56
MAOB P27338 2/20 0.55
NFE2L2 Q16236 1/20 0.55
MAOA P21397 2/20 0.55
TXNRD1 Q16881 1/20 0.55
TXNRD3 Q86VQ6 1/20 0.55
TXNRD2 Q9NNW7 1/20 0.55
COMT P21964 1/20 0.55

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
SCHEMBL9522581 1.00 MAPT (0.65) MAPTALDH1A1LMNAKMT2AMEN1
SCHEMBL10399340 0.92 MAPT (0.58) MAPTALDH1A1LMNAKMT2AMEN1
SCHEMBL15363575 0.90 CYP19A1 (0.53) MAPTALDH1A1LMNAKMT2AMEN1
SCHEMBL9522387 0.89 HSP90AA1 (0.53) MAPTALDH1A1LMNAKMT2AMEN1
SCHEMBL9522391 0.89 HSP90AA1 (0.53) MAPTALDH1A1LMNAKMT2AMEN1
SCHEMBL9478343 0.85 MAOB (0.73) MAPTALDH1A1LMNAKMT2AMEN1
SCHEMBL9478353 0.85 MAOB (0.73) MAPTALDH1A1LMNAKMT2AMEN1
SCHEMBL7922516 0.83 CYP1B1 (0.64) MAPTALDH1A1KMT2AMEN1GAA
SCHEMBL1405456 0.83 PTGS2 (0.75) MAPTALDH1A1LMNAKMT2ANPC1
SCHEMBL6908275 0.83 CYP1B1 (0.64) MAPTALDH1A1KMT2AMEN1GAA

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
EP-0354583-B1 DC-88A derivatives KYOWA HAKKO KOGYO KK (JP) 1993-11-03 EP disclosed
US-5117006-A DC-88A DERIVATIVES USEFUL AS ANTITUMOR AGENTS KYOWA HAKKO KOGYO CO., LTD. (JP) 1992-05-26 US disclosed
US-5084468-A Antitumor agents KYOWA HAKKO KOGYO CO., LTD. (JP) 1992-01-28 US disclosed
EP-0354583-A1 DC-88A derivatives KYOWA HAKKO KOGYO CO., LTD. (JP) 1990-02-14 EP disclosed