SCHEMBL9545100

SCHEMBL9545100

CCCCCCCCCCCCC/N=C(\N)NC1CCCCC1

nearest known ligand 0.71

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.71
EPHX1 P07099 11/20 0.49
EPHX2 P34913 2/20 0.49
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47

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
SCHEMBL9545106 1.00 SIGMAR1 (0.71) SIGMAR1EPHX1EPHX2MEN1KMT2A
SCHEMBL19447867 0.83 SIGMAR1 (1.00) SIGMAR1EPHX1EPHX2MEN1KMT2A
SCHEMBL9543409 0.83 SIGMAR1 (1.00) SIGMAR1EPHX1EPHX2MEN1KMT2A
SCHEMBL2740860 0.83 SIGMAR1 (1.00) SIGMAR1EPHX1EPHX2MEN1KMT2A
SCHEMBL7654570 0.83 SIGMAR1 (1.00) SIGMAR1EPHX1EPHX2MEN1KMT2A
SCHEMBL8015624 0.83 SIGMAR1 (0.50) SIGMAR1EPHX1EPHX2
SCHEMBL45893 0.76 SIGMAR1 (0.87) SIGMAR1EPHX1EPHX2MEN1KMT2A
SCHEMBL8392922 0.74 SIGMAR1 (0.62) SIGMAR1EPHX1EPHX2
SCHEMBL8395088 0.74 SIGMAR1 (0.62) SIGMAR1EPHX1EPHX2
SCHEMBL7306422 0.74 SIGMAR1 (0.62) SIGMAR1EPHX1EPHX2

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
WO-1993016173-A1 DECOLORIZATION AND DEODORIZATION OF FERMENTATION BROTH BY TREATMENT WITH STRONGLY BASIC EXTRACTANTS COGNIS, INC. (US) 1993-08-19 WO disclosed