SCHEMBL9016698

SCHEMBL9016698

C[S+]([O-])c1cc(=O)c2ccc(F)cc2s1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.39
LMNA P02545 2/20 0.39
MAPT P10636 2/20 0.39
POLB P06746 1/20 0.39
BCKDK O14874 1/20 0.38
MPI P34949 6/20 0.36
KAT2B Q92831 1/20 0.35
PHOSPHO1 Q8TCT1 5/20 0.35
KEAP1 Q14145 1/20 0.34
NFE2L2 Q16236 1/20 0.34
G6PD P11413 3/20 0.34
PMM2 O15305 3/20 0.34
KDM4E B2RXH2 3/20 0.34
MIF P14174 2/20 0.34
PKM P14618 1/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
APOBEC3G Q9HC16 1/20 0.34
TDP1 Q9NUW8 1/20 0.34

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
SCHEMBL7773812 0.81 ALDH1A1 (0.37) ALDH1A1MAPTKDM4EMIFPKM
SCHEMBL7775861 0.72 MAPT (0.41) ALDH1A1MAPTKAT2BPKMSMN1; SMN2
SCHEMBL9016538 0.71 ALDH1A1 (0.44) ALDH1A1LMNAMAPTPOLBBCKDK
SCHEMBL7774018 0.71 ALDH1A1 (0.41) ALDH1A1LMNAMAPTPOLBBCKDK
SCHEMBL9016582 0.69 TSHR (0.36)
SCHEMBL4514959 0.68 ALDH1A1 (0.52) ALDH1A1LMNAMAPTPOLBBCKDK
SCHEMBL31344216 0.68 ALDH1A1 (0.52) ALDH1A1LMNAMAPTPOLBBCKDK
SCHEMBL7777285 0.67
SCHEMBL11574705 0.62 KDM4E (0.47) ALDH1A1LMNAMAPTPOLBBCKDK
SCHEMBL16078985 0.61 BCKDK (0.42) ALDH1A1LMNAMAPTPOLBBCKDK

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-0481441-B1 Novel cephem compounds, their preparation processes and antibacterial agents KYORIN SEIYAKU KK (JP) 1996-12-11 EP disclosed
US-5244892-A Pseudomonas KYORIN PHARMACEUTICAL CO., LTD. (JP) 1993-09-14 US disclosed
EP-0481441-A2 Novel cephem compounds, their preparation processes and antibacterial agents KYORIN PHARMACEUTICAL CO., LTD. (JP) 1992-04-22 EP disclosed