SCHEMBL16358372

SCHEMBL16358372

O=C(c1cccc(O)c1)N1CCCC(C2=NC3(CCN(S(=O)(=O)c4cccc(Cl)c4)CC3)C(=O)N2)C1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
UBE2N P61088 1/20 0.45
ALDH1A1 P00352 2/20 0.41
HSD11B1 P28845 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
PKM P14618 1/20 0.40
PROKR1 Q8TCW9 2/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
AKR1C3 P42330 1/20 0.38

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
SCHEMBL848229 0.91 LMNA (0.45) UBE2NALDH1A1HSD11B1MEN1KMT2A
SCHEMBL848541 0.89 PDE2A (0.45) UBE2NALDH1A1PKMPROKR1
SCHEMBL847334 0.86 MGLL (0.46) ALDH1A1MEN1KMT2AAKR1C3
SCHEMBL847346 0.85 KMT2A (0.43) ALDH1A1MEN1KMT2AAKR1C3
SCHEMBL13552166 0.85 MEN1 (0.42) ALDH1A1MEN1KMT2AAKR1C3
SCHEMBL849916 0.85 KMT2A (0.42) ALDH1A1MEN1KMT2AAKR1C3
SCHEMBL847373 0.85 MAPT (0.44) ALDH1A1MEN1KMT2AAKR1C3
SCHEMBL849574 0.83 STS (0.46) ALDH1A1MEN1KMT2A
SCHEMBL848383 0.83 MEN1 (0.41) ALDH1A1MEN1KMT2A
SCHEMBL848801 0.83 PTH1R (0.42) ALDH1A1HSD11B1MEN1KMT2AAKR1C3

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-2010126030-A1 SPIROIMIDAZOLONE DERIVATIVE 中外製薬株式会社 (JP) 2010-11-04 WO disclosed