SCHEMBL7824583

SCHEMBL7824583

C1=CC(c2ccsc2)(c2ccco2)Oc2ccc3ccccc3c21

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
GAA P10253 2/20 0.39
KDM4E B2RXH2 1/20 0.39
NPC1 O15118 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
GLA P06280 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
USP2 O75604 3/20 0.33
POLB P06746 3/20 0.33
CA12 O43570 1/20 0.33
CA9 Q16790 1/20 0.33

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
SCHEMBL8921625 0.86 KDM4E (0.43) MEN1KMT2AGAAKDM4ENPC1
SCHEMBL7825408 0.84 MEN1 (0.40) MEN1KMT2AGAAKDM4ENPC1
SCHEMBL7826214 0.82 KDM4E (0.41) MEN1KMT2AGAAKDM4ENPC1
SCHEMBL4581554 0.77 KDM4E (0.40) MEN1KMT2AGAAKDM4ENPC1
SCHEMBL3829545 0.75 SMN1; SMN2 (0.37) MEN1KMT2AGAAKDM4ENPC1
SCHEMBL30284405 0.73 KDM4E (0.50) MEN1KMT2AGAAKDM4ENPC1
SCHEMBL361847 0.73 KDM4E (0.50) MEN1KMT2AGAAKDM4ENPC1
SCHEMBL9257841 0.68 KDM4E (0.41) MEN1KMT2AGAAKDM4ENPC1
SCHEMBL2126375 0.68 ALDH1A1 (0.54) MEN1KMT2AGAAKDM4ENPC1
SCHEMBL2517095 0.68 KDM4E (0.45) MEN1KMT2AGAAKDM4ENPC1

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-0778276-B1 Photochromic chromene derivatives TOKUYAMA CORP (JP) 2001-05-09 EP claimed