SCHEMBL5280768

SCHEMBL5280768

CCCCc1c(C)nnn1C

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.46
HSD11B1 P28845 2/20 0.35
GABRB3 P28472 1/20 0.33
SIRT1 Q96EB6 1/20 0.32
TSHR P16473 1/20 0.32
KDM4E B2RXH2 1/20 0.30
ALOX15 P16050 1/20 0.30
MAPK1 P28482 1/20 0.30
CASP1 P29466 1/20 0.30
HSD17B10 Q99714 1/20 0.30
SLC9A1 P19634 1/20 0.30
ALDH1A1 P00352 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
SCHEMBL20177345 0.94 MAOB (0.42) MAOBHSD11B1GABRB3SLC9A1ALDH1A1
SCHEMBL5272831 0.87 GABRB3 (0.41) MAOBGABRB3KDM4EALOX15MAPK1
SCHEMBL5280259 0.80 SLC9A1 (0.42) MAOBHSD11B1GABRB3TSHRSLC9A1
SCHEMBL5285370 0.80 SLC9A1 (0.37) MAOBHSD11B1GABRB3SLC9A1ALDH1A1
SCHEMBL5275440 0.79 MAOB (0.58) MAOBHSD11B1SLC9A1ALDH1A1
SCHEMBL5273564 0.78
SCHEMBL5277438 0.78 MAOB (0.56) MAOBHSD11B1GABRB3
SCHEMBL5281133 0.78 MAOB (0.45) MAOBHSD11B1
SCHEMBL5279076 0.78 MAOB (0.33) MAOBHSD11B1GABRB3SLC9A1
SCHEMBL5278875 0.78 MAOB (0.45) MAOBHSD11B1

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-1859781-A2 Brightening and/or colouring agent with triazoles Henkel Kommanditgesellschaft auf Aktien (DE) 2007-11-28 EP disclosed