SCHEMBL581422

SCHEMBL581422

COc1ccc(Cc2cccc(C(N)=O)c2NC2CCSCC2)cc1OC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
CA9 Q16790 2/20 0.40
EPHX1 P07099 1/20 0.40
CA12 O43570 1/20 0.40
ALDH1A1 P00352 2/20 0.39
JAK1 P23458 1/20 0.39
JAK3 P52333 1/20 0.39
HPGD P15428 1/20 0.39
APEX1 P27695 1/20 0.39
POLB P06746 1/20 0.38
LMNA P02545 1/20 0.38
MTNR1A P48039 1/20 0.38
MTNR1B P49286 1/20 0.38
GUSB P08236 1/20 0.38
CFTR P13569 1/20 0.38
GAA P10253 1/20 0.38
HTR2A P28223 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
SCHEMBL583113 0.88 CTSD (0.46) MEN1KMT2AALDH1A1JAK1JAK3
SCHEMBL582321 0.78 CA2 (0.54) MEN1KMT2ACA2ALDH1A1POLB
SCHEMBL581421 0.73 GAA (0.55) MEN1KMT2AALDH1A1HPGDAPEX1
SCHEMBL28811459 0.71 CA2 (0.45) MEN1KMT2ACA2ALDH1A1APEX1
SCHEMBL581713 0.71 CTSD (0.43) MEN1KMT2AALDH1A1JAK1JAK3
SCHEMBL6154491 0.70 KIT (0.47) MEN1KMT2ALMNAGAA
SCHEMBL5681719 0.70 GAA (0.51) KMT2AALDH1A1HPGDPOLBLMNA
SCHEMBL7866112 0.67 KDM4E (0.50) MEN1KMT2AALDH1A1POLBLMNA
SCHEMBL6267577 0.67 ABCB1 (0.51) MEN1KMT2AAPEX1POLBLMNA
SCHEMBL27911441 0.67 MEN1 (0.41) MEN1KMT2ALMNAHTR2B

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-2417130-A2 QUINAZOLINEDIONE DERIVATIVES, PREPARATION THEREOF AND VARIOUS THERAPEUTIC USES THEREOF SANOFI (FR) 2012-02-15 EP disclosed