SCHEMBL15049872

SCHEMBL15049872

CC1(C)Oc2cc(CN[SH](=O)=O)ccc2C(c2ccc(Cl)cc2)=C1C#N

nearest known ligand 0.32

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.32
ALDH1A1 P00352 2/20 0.30
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30
LMNA P02545 1/20 0.30
MAPT P10636 1/20 0.30
HTT P42858 1/20 0.30
KMT2A Q03164 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
HIF1A Q16665 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
SCHEMBL15049781 0.90 MAOB (0.32) MAOBALDH1A1MEN1MAPTHTT
SCHEMBL15049857 0.90 ABCB1 (0.30)
SCHEMBL15049741 0.88
SCHEMBL15049814 0.88 KCNJ1 (0.30)
SCHEMBL3011529 0.77 KIF11 (0.45)
SCHEMBL15049780 0.75 MAOB (0.34) MAOBALDH1A1MEN1LMNAMAPT
SCHEMBL3017342 0.74 KDM4E (0.39) ALDH1A1KDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL15049881 0.74 MAOB (0.34) MAOBALDH1A1MEN1KMT2A
SCHEMBL15049784 0.74 MAOB (0.34) MAOBALDH1A1KDM4EMEN1LMNA
SCHEMBL15049811 0.74 NR3C2 (0.31)

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