SCHEMBL8547162

SCHEMBL8547162

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

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CYP19A1 P11511 3/20 0.34
▸ NQO2 P16083 3/20 0.34
▸ ALDH1A1 P00352 2/20 0.31
▸ HPGD P15428 2/20 0.31
▸ NPC1 O15118 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ PLK1 P53350 1/20 0.30
▸ PLK3 Q9H4B4 1/20 0.30
▸ PLK2 Q9NYY3 1/20 0.30
▸ MAOB P27338 1/20 0.30
▸ CTSV O60911 1/20 0.30
▸ MGAM O43451 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
SCHEMBL8539652 0.89 ERO1A (0.33) ALDH1A1
SCHEMBL8543080 0.78 MAPT (0.35) CYP19A1NQO2ALDH1A1HPGD
SCHEMBL8545252 0.76 ALDH1A1 (0.30) ALDH1A1HPGDNPC1RAB9A
SCHEMBL8543402 0.72 KDM4E (0.35) ALDH1A1HPGD
SCHEMBL8539725 0.71 NQO2 (0.33) NQO2
SCHEMBL8546612 0.69 HTR2A (0.32) —
SCHEMBL8547454 0.69 SMN1; SMN2 (0.30) —
SCHEMBL8548375 0.69 NQO2 (0.40) NQO2
SCHEMBL8543409 0.68 NQO2 (0.43) NQO2
SCHEMBL8545260 0.68 MAPT (0.41) ALDH1A1HPGDNPC1RAB9A

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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