SCHEMBL9530216

SCHEMBL9530216

CC(C)(C)NC(N)=Nc1ccccc1N1CCSCC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.36
SIGMAR1 Q99720 3/20 0.35
GRIN2D O15399 2/20 0.35
GRIN3B O60391 2/20 0.35
GRIN1 Q05586 2/20 0.35
GRIN2A Q12879 2/20 0.35
GRIN2B Q13224 2/20 0.35
GRIN2C Q14957 2/20 0.35
GRIN3A Q8TCU5 2/20 0.35
TPH1 P17752 1/20 0.35
ACHE P22303 1/20 0.34
BCHE P06276 1/20 0.33
LGMN Q99538 1/20 0.33
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
ALDH1A1 P00352 2/20 0.33
RBP4 P02753 3/20 0.32
ALOX15 P16050 2/20 0.32
PABPC1 P11940 1/20 0.32
TSHR P16473 1/20 0.32

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
SCHEMBL9533258 0.84 ALDH1A1 (0.38) GAASIGMAR1GRIN2DGRIN3BGRIN1
SCHEMBL9533260 0.84 ALDH1A1 (0.38) GAASIGMAR1GRIN2DGRIN3BGRIN1
SCHEMBL9424137 0.83 GAA (0.36) GAAACHEBCHELGMNMEN1
SCHEMBL9530210 0.79 GRIN2D (0.32) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL9059192 0.77 SIGMAR1 (0.40) SIGMAR1TPH1ACHELGMN
SCHEMBL9424593 0.76 ACHE (0.35) GAATPH1ACHEBCHELGMN
SCHEMBL9424008 0.69 ALDH1A1 (0.40) GAAMEN1KMT2AALDH1A1ALOX15
SCHEMBL9424006 0.69 ALDH1A1 (0.40) GAAMEN1KMT2AALDH1A1ALOX15
SCHEMBL9059644 0.68 LGMN (0.43) SIGMAR1BCHELGMNMEN1KMT2A
SCHEMBL9532357 0.68 ALDH1A1 (0.38) GAAMEN1KMT2AALDH1A1SMN1; SMN2

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-0385038-B1 ORTHO-SUBSTITUTED PHENYL AMIDINE AND PHENYL GUANIDINE DERIVATIVES AND ANTIDIABETIC OR HYPOGLYCAEMIC AGENTS CONTAINING THEM The Boots Company PLC (GB) 1993-06-02 EP disclosed