SCHEMBL13707809

SCHEMBL13707809

CC(C)N1CCN(S(=O)(=O)c2cc(C3CN=C(N)C(C(=O)c4ccc(Cl)cc4)=N3)ccc2Cl)CC1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.38
CNR2 P34972 1/20 0.38
TDP1 Q9NUW8 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
KMT2A Q03164 3/20 0.37
POLB P06746 2/20 0.37
TSHR P16473 2/20 0.37
CNR1 P21554 1/20 0.37
HTT P42858 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
CHRNA7 P36544 1/20 0.37
MEN1 O00255 1/20 0.36
NPBWR1 P48145 1/20 0.36
MCHR1 Q99705 1/20 0.36
MAPT P10636 1/20 0.36
ALOX15 P16050 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
SCHEMBL3432453 0.70 PIK3CD (0.51)
SCHEMBL3404662 0.64 GAA (0.49) ALDH1A1TDP1L3MBTL1POLBTSHR
SCHEMBL3647003 0.61 DHFR (0.39) ALDH1A1TSHRMAPT
SCHEMBL3409554 0.60 PIK3CD (0.53)
SCHEMBL10037141 0.59 ACLY (0.58) ALDH1A1
SCHEMBL21940833 0.59 LMNA (0.68) ALDH1A1KMT2AMEN1MAPT
SCHEMBL18711334 0.59 ALDH1A1 (0.75) ALDH1A1TDP1L3MBTL1KMT2ATSHR
SCHEMBL197131 0.58 ALDH1A1 (1.00) ALDH1A1TDP1L3MBTL1KMT2APOLB
SCHEMBL11711932 0.57 TDP1 (1.00) ALDH1A1CNR2TDP1L3MBTL1KMT2A
SCHEMBL4157605 0.57 KMT2A (0.72) ALDH1A1L3MBTL1KMT2APOLBTSHR

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-2009115517-A2 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2009-09-24 WO disclosed