SCHEMBL9569216

SCHEMBL9569216

O=c1cc[nH]c2cc(N3CCC(=NO)CC3)ccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.44
ERCC1 P07992 1/20 0.42
DNASE1 P24855 1/20 0.42
FEN1 P39748 1/20 0.42
ERCC4 Q92889 1/20 0.42
HSD17B10 Q99714 2/20 0.40
PIK3CD O00329 1/20 0.34
PIK3CA P42336 1/20 0.34
PIK3CB P42338 1/20 0.34
PARP1 P09874 1/20 0.34
TNK2 Q07912 1/20 0.34
TNK1 Q13470 1/20 0.34
IP6K1 Q92551 3/20 0.33
IP6K3 Q96PC2 2/20 0.33
CCR8 P51685 1/20 0.33
KMT2A Q03164 1/20 0.33
GAA P10253 1/20 0.31
CHRNA7 P36544 1/20 0.31
MAP3K11 Q16584 1/20 0.31
TRPV1 Q8NER1 1/20 0.31

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
SCHEMBL9569218 0.92 ALDH1A1 (0.42) ALDH1A1ERCC1DNASE1FEN1ERCC4
SCHEMBL9569221 0.92 ALDH1A1 (0.42) ALDH1A1ERCC1DNASE1FEN1ERCC4
SCHEMBL9569202 0.84 ALDH1A1 (0.41) ALDH1A1ERCC1DNASE1FEN1ERCC4
SCHEMBL9569238 0.79 ALDH1A1 (0.40) ALDH1A1ERCC1DNASE1FEN1ERCC4
SCHEMBL9569235 0.79 ALDH1A1 (0.40) ALDH1A1ERCC1DNASE1FEN1ERCC4
SCHEMBL29576228 0.79 ALDH1A1 (0.50) ALDH1A1ERCC1DNASE1FEN1ERCC4
SCHEMBL28826859 0.79 PIK3CD (0.53) ALDH1A1ERCC1DNASE1FEN1ERCC4
SCHEMBL7291426 0.79 ALDH1A1 (0.50) ALDH1A1ERCC1DNASE1FEN1ERCC4
SCHEMBL8615747 0.78 ALDH1A1 (0.49) ALDH1A1ERCC1DNASE1FEN1ERCC4
SCHEMBL29576625 0.78 ALDH1A1 (0.49) ALDH1A1ERCC1DNASE1FEN1ERCC4

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-0541086-A1 Antibacterial 6-fluoro-quinolones having an oxime group on the substituent in position 7 Kaken Pharmaceutical Co., Ltd. (JP) 1993-05-12 EP disclosed