SCHEMBL15049784

SCHEMBL15049784

CC1(C)N=C(c2ccc(Cl)cc2)c2ccc(CN[SH](=O)=O)cc2O1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.34
RECQL P46063 1/20 0.33
MAPT P10636 3/20 0.31
HTT P42858 3/20 0.31
KDM4E B2RXH2 1/20 0.31
LMNA P02545 1/20 0.31
TP53 P04637 1/20 0.31
POLB P06746 1/20 0.31
HPGD P15428 1/20 0.31
TSHR P16473 1/20 0.31
ALOX12 P18054 1/20 0.31
MAPK1 P28482 1/20 0.31
HSD17B10 Q99714 1/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
MALT1 Q9UDY8 1/20 0.31
ALDH1A1 P00352 2/20 0.31
HSP90AA1 P07900 1/20 0.30
PTH1R Q03431 1/20 0.30
BACE1 P56817 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
SCHEMBL15049786 0.89 MAOB (0.34) MAOBMAPTKDM4EPOLBMEN1
SCHEMBL15049778 0.87 CNR1 (0.30)
SCHEMBL15049889 0.86 PTGES (0.33)
SCHEMBL15049903 0.86 PTGES (0.33) MAOBBACE1
SCHEMBL15049718 0.85 MMP13 (0.33)
SCHEMBL15049759 0.78 MEN1 (0.32) MAOBMAPTLMNAPOLBMEN1
SCHEMBL15049804 0.78 MAOB (0.32) MAOBMAPTKDM4EMEN1KMT2A
SCHEMBL12082073 0.77 MAOB (0.35) MAOBRECQLMAPTKDM4ELMNA
SCHEMBL15049764 0.76 KDM4E (0.32) MAOBMAPTKDM4ELMNATP53
SCHEMBL15049809 0.75

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-2179994-B1 FUSED BICYCLIC COMPOUND MITSUBISHI TANABE PHARMA CORP (JP) 2013-06-26 EP claimed