SCHEMBL8539652

SCHEMBL8539652

COc1c(Br)cc(OC(C)=O)c2c1c(=O)c1c(Br)ccc3c(C)nn2c31

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ERO1A Q96HE7 1/20 0.33
▸ ABCB11 O95342 1/20 0.32
▸ TOP2B Q02880 2/20 0.31
▸ GAA P10253 2/20 0.31
▸ MAPT P10636 2/20 0.31
▸ KDM4E B2RXH2 2/20 0.31
▸ ALDH1A1 P00352 2/20 0.31
▸ KMT2A Q03164 2/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ CYP2C9 P11712 1/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31
▸ POLB P06746 1/20 0.30
▸ APEX1 P27695 1/20 0.30
▸ RECQL P46063 1/20 0.30
▸ BLM P54132 1/20 0.30
▸ TDP1 Q9NUW8 1/20 0.30
▸ L3MBTL1 Q9Y468 1/20 0.30
▸ HTT P42858 1/20 0.30

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
SCHEMBL8547162 0.89 CYP19A1 (0.34) ALDH1A1
SCHEMBL8539520 0.88 ERO1A (0.33) ERO1AABCB11
SCHEMBL8545252 0.88 ALDH1A1 (0.30) MAPTKDM4EALDH1A1KMT2AMEN1
SCHEMBL8543080 0.70 MAPT (0.35) GAAMAPTKDM4EALDH1A1KMT2A
SCHEMBL8543402 0.70 KDM4E (0.35) MAPTKDM4EALDH1A1KMT2AMEN1
SCHEMBL8546612 0.67 HTR2A (0.32) KMT2ACYP3A4
SCHEMBL8547454 0.67 SMN1; SMN2 (0.30) —
SCHEMBL8545260 0.66 MAPT (0.41) MAPTKDM4EALDH1A1KMT2AMEN1
SCHEMBL9023725 0.60 MAPT (0.38) GAAMAPTKDM4EALDH1A1KMT2A
SCHEMBL9024132 0.60 ALDH1A1 (0.33) GAAMAPTKDM4EALDH1A1KMT2A

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-0487097-B1 Pyrazoloacridone derivatives KYOWA HAKKO KOGYO KK (JP) 1998-10-14 — — EP disclosed
US-5220026-A Antitumor agents KYOWA HAKKO KOGYO CO., LTD. (JP) 1993-06-15 — — US disclosed
EP-0487097-A1 Pyrazoloacridone derivatives KYOWA HAKKO KOGYO CO., LTD. (JP) 1992-05-27 — — EP disclosed
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