SCHEMBL9016538

SCHEMBL9016538

O=c1cc(S)sc2cc(F)ccc12

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.44
LMNA P02545 2/20 0.44
MAPT P10636 2/20 0.44
POLB P06746 1/20 0.44
MPI P34949 9/20 0.44
BCKDK O14874 1/20 0.42
PHOSPHO1 Q8TCT1 8/20 0.41
G6PD P11413 4/20 0.41
MIF P14174 4/20 0.40
KAT2B Q92831 1/20 0.40
PMM2 O15305 5/20 0.38
APOBEC3G Q9HC16 2/20 0.38
KDM4E B2RXH2 1/20 0.38
PKM P14618 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL7774394 0.77 MAPT (0.43) MAPTMPIPHOSPHO1G6PDMIF
SCHEMBL7777304 0.75 ALDH1A1 (0.60) ALDH1A1LMNAMAPTPOLBG6PD
SCHEMBL31344216 0.74 ALDH1A1 (0.52) ALDH1A1LMNAMAPTPOLBMPI
SCHEMBL4514959 0.74 ALDH1A1 (0.52) ALDH1A1LMNAMAPTPOLBMPI
SCHEMBL7769678 0.74 MAPK1 (0.50) ALDH1A1LMNAMAPTMPIMIF
SCHEMBL7774018 0.74 ALDH1A1 (0.41) ALDH1A1LMNAMAPTPOLBMPI
SCHEMBL7774411 0.74 PARP1 (0.36) ALDH1A1MIF
SCHEMBL9016698 0.71 ALDH1A1 (0.39) ALDH1A1LMNAMAPTPOLBMPI
SCHEMBL11574705 0.68 KDM4E (0.47) ALDH1A1LMNAMAPTPOLBMPI
SCHEMBL31344125 0.67 KDM4E (0.54) ALDH1A1LMNAMAPTPOLBMPI

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