SCHEMBL9569221

SCHEMBL9569221

O=c1cc[nH]c2cc(N3CCC(=NO)C3)ccc12

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.42
HSD17B10 Q99714 2/20 0.39
ERCC1 P07992 1/20 0.38
DNASE1 P24855 1/20 0.38
FEN1 P39748 1/20 0.38
ERCC4 Q92889 1/20 0.38
IP6K1 Q92551 2/20 0.33
CCR8 P51685 1/20 0.32
PARP1 P09874 1/20 0.32
TNK2 Q07912 1/20 0.32
TNK1 Q13470 1/20 0.32
KMT2A Q03164 1/20 0.31
PIK3CD O00329 1/20 0.31
PIK3CA P42336 1/20 0.31
PIK3CB P42338 1/20 0.31
MAPK1 P28482 1/20 0.31
MAP3K11 Q16584 1/20 0.30
IP6K3 Q96PC2 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
SCHEMBL9569218 1.00 ALDH1A1 (0.42) ALDH1A1HSD17B10ERCC1DNASE1FEN1
SCHEMBL9569216 0.92 ALDH1A1 (0.44) ALDH1A1HSD17B10ERCC1DNASE1FEN1
SCHEMBL9569235 0.84 ALDH1A1 (0.40) ALDH1A1HSD17B10ERCC1DNASE1FEN1
SCHEMBL9569238 0.84 ALDH1A1 (0.40) ALDH1A1HSD17B10ERCC1DNASE1FEN1
SCHEMBL9569202 0.79 ALDH1A1 (0.41) ALDH1A1HSD17B10ERCC1DNASE1FEN1
SCHEMBL29576228 0.74 ALDH1A1 (0.50) ALDH1A1HSD17B10ERCC1DNASE1FEN1
SCHEMBL7291426 0.74 ALDH1A1 (0.50) ALDH1A1HSD17B10ERCC1DNASE1FEN1
SCHEMBL28826859 0.74 PIK3CD (0.53) ALDH1A1HSD17B10ERCC1DNASE1FEN1
SCHEMBL8615747 0.73 ALDH1A1 (0.49) ALDH1A1HSD17B10ERCC1DNASE1FEN1
SCHEMBL29576625 0.73 ALDH1A1 (0.49) ALDH1A1HSD17B10ERCC1DNASE1FEN1

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