SCHEMBL20177345

SCHEMBL20177345

CCCCCc1c(C)nnn1C

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.42
HSD11B1 P28845 3/20 0.37
CACNA2D1 P54289 1/20 0.32
GABRB3 P28472 1/20 0.32
MIF P14174 1/20 0.32
SLC9A1 P19634 3/20 0.32
ALDH1A1 P00352 1/20 0.32
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
ATM Q13315 1/20 0.31
CYP19A1 P11511 3/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL5280768 0.94 MAOB (0.46) MAOBHSD11B1GABRB3SLC9A1ALDH1A1
SCHEMBL5272831 0.85 GABRB3 (0.41) MAOBGABRB3
SCHEMBL24349128 0.78 MAOB (0.51) MAOBHSD11B1GABRB3MIFSLC9A1
SCHEMBL25673612 0.78 MAOB (0.51) MAOBHSD11B1GABRB3MIFSLC9A1
SCHEMBL5531413 0.77 SCD (0.38) ALDH1A1
SCHEMBL5273564 0.76
SCHEMBL5280965 0.76 SLC9A1 (0.45) MAOBSLC9A1ALDH1A1
SCHEMBL5531536 0.75 SCD (0.40)
SCHEMBL5541498 0.75 SCD (0.40)
SCHEMBL5533758 0.75 SCD (0.40)

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3227476-B1 METHODS AND KITS FOR THERANOSTIC APPLICATIONS TRIBIOTICA LLC (US) 2021-02-24 EP disclosed
EP-3004351-B1 METHODS AND COMPOSITIONS FOR TEMPLATED ASSEMBLY OF NUCLEIC ACID SPECIFIC HETEROCOMPOUNDS TRIBIOTICA LLC (US) 2018-08-08 EP disclosed
WO-2018094195-A1 METHODS FOR DIRECTED FOLDING ASSEMBLY OR DIMERIZATION OF PROTEINS BY TEMPLATED ASSEMBLY REACTIONS TRIBIOTICA LLC (US) 2018-05-24 WO disclosed
WO-2018094070-A1 METHODS FOR PREVENTING TITRATION OF BIMOLECULAR TEMPLATED ASSEMBLY REACTIONS BY STRUCTURALLY-DETERMINED DIFFERENTIAL HYBRIDIZATIONS TRIBIOTICA LLC (US) 2018-05-24 WO disclosed