SCHEMBL4718932

SCHEMBL4718932

O=C(O)Oc1cn(C2CC2)c2cc(N3CCN(S(=O)(=O)c4ccc(Cl)s4)CC3)c(F)cc2c1=O

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.53
ALDH1A1 P00352 4/20 0.53
LMNA P02545 3/20 0.53
HTT P42858 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
PIK3CG P48736 5/20 0.48
PIK3CD O00329 3/20 0.48
PIK3R1 P27986 3/20 0.48
PIK3CA P42336 3/20 0.48
HPGD P15428 2/20 0.47
HSD17B10 Q99714 2/20 0.47
MAPT P10636 1/20 0.47
CYP1A2 P05177 1/20 0.47
TOP2A P11388 1/20 0.47
CYP2C9 P11712 1/20 0.47
TOP2B Q02880 1/20 0.47
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
HRH3 Q9Y5N1 1/20 0.43

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
SCHEMBL4718785 0.90 KDM4E (0.66) KDM4EALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL4762041 0.85 ALDH1A1 (0.62) KDM4EALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL4717755 0.83 KDM4E (0.58) KDM4EALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL10807872 0.82 KDM4E (0.52) KDM4EALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL4720069 0.82 ALDH1A1 (0.60) KDM4EALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL4761307 0.81 KDM4E (0.54) KDM4EALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL4761515 0.81 ALDH1A1 (0.59) KDM4EALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL10374014 0.80 KDM4E (0.60) KDM4EALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL9370629 0.80 KDM4E (0.61) KDM4EALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL4715024 0.80 KDM4E (0.51) KDM4EALDH1A1LMNAHTTSMN1; SMN2

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-1230235-B1 COMPOUNDS WITH ANTIBACTERIAL AND ANTIPARASITIC PROPERTIES NEW PHARMA RES SWEDEN AB (SE) 2008-06-11 EP claimed