SCHEMBL9833936

SCHEMBL9833936

CCN(CC)S(=O)(=O)c1ccccc1S(=O)(=O)N/C(=N\N)Nc1nc(C)cc(C)n1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.43
TSHR P16473 3/20 0.40
LMNA P02545 3/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
GAA P10253 2/20 0.39
NPC1 O15118 1/20 0.38
TP53 P04637 1/20 0.38
MAPK1 P28482 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HTT P42858 1/20 0.38
ALOX5AP P20292 2/20 0.37
FEN1 P39748 2/20 0.37
PIK3C3 Q8NEB9 1/20 0.37
PI4KB Q9UBF8 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36

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
SCHEMBL9833941 1.00 ALDH1A1 (0.43) ALDH1A1TSHRLMNAMEN1KMT2A
SCHEMBL11089977 0.85 LMNA (0.46) ALDH1A1TSHRLMNAGAANPC1
SCHEMBL9835846 0.81 GAA (0.54) ALDH1A1TSHRLMNAMEN1KMT2A
SCHEMBL9835853 0.81 GAA (0.54) ALDH1A1TSHRLMNAMEN1KMT2A
SCHEMBL11087777 0.77 SMN1; SMN2 (0.49) ALDH1A1TSHRGAANPC1TP53
SCHEMBL9834934 0.77 CA1 (0.47) ALDH1A1MEN1KMT2AGAANPC1
SCHEMBL9834922 0.77 CA1 (0.47) ALDH1A1MEN1KMT2AGAANPC1
SCHEMBL11092529 0.76 LMNA (0.45) ALDH1A1TSHRLMNAGAANPC1
SCHEMBL11092110 0.75 NPC1 (0.45) ALDH1A1TSHRMEN1KMT2ANPC1
SCHEMBL11055373 0.74 NPC1 (0.44) ALDH1A1TSHRMEN1KMT2ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0343462-B1 AMINOGUANIDINO AZINES BAYER AG (DE) 1991-12-11 EP claimed
EP-0343462-B1 AMINOGUANIDINO AZINES BAYER AG (DE) 1991-12-11 EP disclosed