SCHEMBL9569238

SCHEMBL9569238

CON=C1CCN(c2ccc3c(=O)cc[nH]c3c2)C1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.40
SYK P43405 1/20 0.38
HSD17B10 Q99714 1/20 0.36
ERCC1 P07992 1/20 0.33
DNASE1 P24855 1/20 0.33
FEN1 P39748 1/20 0.33
ERCC4 Q92889 1/20 0.33
IP6K1 Q92551 1/20 0.31
IMPDH2 P12268 1/20 0.31
MAP3K11 Q16584 1/20 0.31
PARP1 P09874 1/20 0.30
TNK2 Q07912 1/20 0.30
TNK1 Q13470 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
SCHEMBL9569235 1.00 ALDH1A1 (0.40) ALDH1A1SYKHSD17B10ERCC1DNASE1
SCHEMBL9569202 0.93 ALDH1A1 (0.41) ALDH1A1SYKHSD17B10ERCC1DNASE1
SCHEMBL9569218 0.84 ALDH1A1 (0.42) ALDH1A1HSD17B10ERCC1DNASE1FEN1
SCHEMBL9569221 0.84 ALDH1A1 (0.42) ALDH1A1HSD17B10ERCC1DNASE1FEN1
SCHEMBL9569216 0.79 ALDH1A1 (0.44) ALDH1A1HSD17B10ERCC1DNASE1FEN1
SCHEMBL8615747 0.73 ALDH1A1 (0.49) ALDH1A1HSD17B10ERCC1DNASE1FEN1
SCHEMBL29576625 0.73 ALDH1A1 (0.49) ALDH1A1HSD17B10ERCC1DNASE1FEN1
SCHEMBL7291426 0.72 ALDH1A1 (0.50) ALDH1A1HSD17B10ERCC1DNASE1FEN1
SCHEMBL29576228 0.72 ALDH1A1 (0.50) ALDH1A1HSD17B10ERCC1DNASE1FEN1
SCHEMBL28826859 0.72 PIK3CD (0.53) 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