SCHEMBL5764009

SCHEMBL5764009

O=C1c2sccc2CS(=O)(=O)c2cccc(NC(=O)C(O)c3ccccc3)c21

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.34
CASP3 P42574 1/20 0.34
CASP2 P42575 1/20 0.34
CASP7 P55210 1/20 0.34
CASP6 P55212 1/20 0.34
CASP8 Q14790 1/20 0.34
NOTUM Q6P988 1/20 0.33
MAPT P10636 1/20 0.33
CA12 O43570 2/20 0.32
CA2 P00918 2/20 0.32
CA9 Q16790 2/20 0.32
GLS O94925 6/20 0.32
MEN1 O00255 1/20 0.30
GAA P10253 1/20 0.30
KMT2A Q03164 1/20 0.30
ALDH1A1 P00352 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
KCNQ2 O43526 1/20 0.30
CCNE2 O96020 1/20 0.30
CDK4 P11802 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
SCHEMBL5768181 0.85 KDM4E (0.33) KDM4EMAPTMEN1KMT2ACCNE2
SCHEMBL3619675 0.84 KDM4E (0.34) KDM4EMAPT
SCHEMBL5766878 0.82 CCNE2 (0.42) KDM4ECASP3NOTUMMAPTGAA
SCHEMBL5766255 0.82 TAS1R3 (0.34) KDM4EMEN1KMT2A
SCHEMBL5764891 0.81 KDM4E (0.35) KDM4ECASP3NOTUMMAPTCA12
SCHEMBL5766819 0.80 KDM4E (0.35) KDM4ECASP3CASP2NOTUMMAPT
SCHEMBL14371336 0.80 KDM4E (0.34) KDM4ENOTUMMAPTCA12CA2
SCHEMBL5766426 0.79 KDM4E (0.36) KDM4ENOTUMMAPTCA12CA2
SCHEMBL5765490 0.79 KDM4E (0.37) KDM4ENOTUMMAPTCA12CA2
SCHEMBL5766496 0.79 ALDH1A1 (0.35) KDM4ENOTUMMAPTALDH1A1CCNE2

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-0979821-B1 TRICYCLIC COMPOUNDS KYOWA HAKKO KOGYO KK (JP) 2006-09-13 EP disclosed
US-6211227-B1 SULFUR CONTAINING TRICYCLIC COMPOUNDS KYOWA HAKKO KOGYO CO., LTD. (JP) 2001-04-03 US disclosed
EP-0979821-A1 TRICYCLIC COMPOUNDS KYOWA HAKKO KOGYO CO., LTD. (JP) 2000-02-16 EP disclosed