SCHEMBL9564484

SCHEMBL9564484

Nc1cc2c(=O)ccn(C3CC3)c2cc1N1CCC(OC=O)CC1

nearest known ligand 0.31

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.31
▸ ALDH1A1 P00352 3/20 0.31
▸ TOP2A P11388 2/20 0.31
▸ TOP2B Q02880 2/20 0.31
▸ LMNA P02545 2/20 0.31
▸ HPGD P15428 2/20 0.31
▸ HSD17B10 Q99714 2/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ CYP2C9 P11712 1/20 0.31
▸ LGMN Q99538 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ PIK3CD O00329 1/20 0.30
▸ PIK3R1 P27986 1/20 0.30
▸ PIK3CA P42336 1/20 0.30
▸ PIK3CG P48736 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
SCHEMBL9564462 0.74 KCNH2 (0.43) KDM4EALDH1A1TOP2ATOP2BLMNA
SCHEMBL9564486 0.73 SMPD3 (0.41) —
SCHEMBL14585956 0.69 ALDH1A1 (0.48) KDM4EALDH1A1TOP2ATOP2BLMNA
SCHEMBL30615686 0.69 ALDH1A1 (0.61) KDM4EALDH1A1TOP2ATOP2BLMNA
SCHEMBL1915366 0.69 ALDH1A1 (0.61) KDM4EALDH1A1TOP2ATOP2BLMNA
SCHEMBL17453757 0.67 KDM4E (0.49) KDM4EALDH1A1TOP2ATOP2BLMNA
SCHEMBL29742967 0.67 TOP2A (0.49) KDM4EALDH1A1TOP2ATOP2BLMNA
SCHEMBL10475103 0.67 TOP2A (0.49) KDM4EALDH1A1TOP2ATOP2BLMNA
SCHEMBL1876500 0.66 TOP2A (0.37) KDM4EALDH1A1TOP2ATOP2BMAPT
Hydrochloric Acid SCHEMBL29744471 0.66 TOP2A (0.48) KDM4EALDH1A1TOP2ATOP2BLMNA

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0531958-A1 6-Aminoquinolones, their synthesis and their use as antibacterial agents MEDIOLANUM FARMACEUTICI S.P.A. (IT) 1993-03-17 — — EP disclosed
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